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  • 2000-2004  (3)
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  • 1
    Electronic Resource
    Electronic Resource
    Postnatal development of thalamocortical projections upon striate and extrastriate visual cortical areas in the cat (2000)
    Springer
    Anatomy and embryology 202 (2000), S. 431-442 
    Details
    ISSN: 1432-0568
    Keywords: Key words Visual system ; Thalamocortical connections ; Postnatal development ; Retrograde axonal tracing ; Fluorescence technique ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract  The development of visual thalamocortical projections was analyzed quantitatively by comparing, in cresyl violet-stained brain sections of early postnatal (10–17 days) and adult cats, the cell body dimensions and total cell packing density (CPD) of neuronal populations in different laminae (A, A1 and C) of the dorsal lateral geniculate (dLGN), medial interlaminar nucleus (MIN), and in lateral (LPl), intermediate (LPi) and medial (LPm) subdivisions of the lateral posterior complex. Following injections of different fluorescent tracers (FB, NY, EB, RITC) into cortical visual areas 17/18, posterior medial (PMLS) and posterior lateral (PLLS) lateral suprasylvian and anterior ectosylvian (AEV), the thalamic distribution and densities of retrogradely labeled neurons were analyzed. Projection CPDs and ratios of projection/total CPDs were determined and compared within the different thalamic components in the kitten and adult cat. A significant decrease in total cell packing density was observed in the various thalamic components of the adult cat, varying between 43% and 65%, and a marked increase in mean cell body diameter in the A, A1 and C laminae and MIN from kitten to adult (8.4±1.8 and 11.8±2.8 µm respectively) compared to the LP subnuclei (9.0±1.3 and 9.1±1.5 µm). The ratios of projection/total CPDs decreased significantly for projections upon areas 17/18 stemming from layers A and A1 (20 and 25%, respectively) and from LPi upon both PMLS (34%) and AEV (16%). Thalamocortical projections observed in the kitten from LPi upon areas 17/18 and from the A-laminae upon PMLS were absent in the adult cat. The data indicate that, in comparison to the lateral posterior nucleus, the maturation of neurons within the dLGN and MIN is incomplete with respect to cell body size during the early postnatal period. In addition, the developmental changes observed involve both reductions in the total number of thalamic neurons and a differential loss of cortical projections. The selective elimination of early cortical connections stemming from dorsal lateral geniculate laminae A and A1 and from the intermediate division of the lateral posterior nucleus may occur through a process of axon collateral withdrawal from the expanded cortical sites, thereby giving rise to the adult pattern.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s004290000125
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  • 2
    Electronic Resource
    Electronic Resource
    Activity of respiratory laryngeal motoneurons during fictive coughing and swallowing (2000)
    Springer
    Experimental brain research 130 (2000), S. 27-34 
    Details
    ISSN: 1432-1106
    Keywords: Key words Nucleus ambiguus ; Laryngeal motoneurons ; Superior laryngeal nerve ; Coughing and swallowing ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract  Membrane potential changes and discharges from 28 laryngeal motoneurons were recorded intracellularly in the caudal nucleus ambiguus of decerebrate, paralyzed and ventilated cats. Electrical activities were recorded from 17 expiratory laryngeal motoneurons (ELMs) with maximal depolarizing membrane potential in early expiration, and from 11 inspiratory laryngeal motoneurons (ILMs) with maximal depolarizing membrane potential in inspiration. Activities during breathing were compared with those observed during fictive coughing and swallowing evoked by electrical stimulation of the superior laryngeal nerves. These non-respiratory behaviors were evidenced in paralyzed animals by characteristic discharge patterns of the phrenic, abdominal nerves and pharyngeal branch of the vagus nerve. We recorded the activity of 11 ELMs and 5 ILMs during coughing in which ELMs, but not ILMs, exhibited increased membrane depolarization and discharge frequencies. Membrane depolarization and discharge frequencies of all ELMs were also significantly increased during swallowing. In addition, membrane depolarization of most ELMs (15/17) was preceded by a short-lasting hyperpolarization due to chloride-dependent inhibitory mechanisms occurring at the onset of swallowing. Out of 10 ILMs tested during swallowing, 7 exhibited membrane depolarization, preceded in 5 cases by a short-lasting hyperpolarization. Discharge frequencies of ILMs were significantly reduced during swallowing. The same pattern of phasic activities of ILMs and ELMs was observed during coughing and breathing, suggesting the involvement of similar excitatory pathways in both behaviors. These results imply that the duration of activation and the discharge frequency of neurons of the central generator for breathing that drive laryngeal motoneurons are enhanced during coughing. During swallowing, in addition to central excitatory mechanisms, laryngeal motoneurons are subjected to an initial inhibition of unknown origin. This inhibition probably contributes to the temporal organization of the swallowing motor sequence.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002210050003
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  • 3
    Electronic Resource
    Electronic Resource
    Clinical applications of flow cytometry and cell immunophenotyping to companion animals (dog and cat) (2000)
    Springer
    Methods in cell science 22 (2000), S. 199-207 
    Details
    ISSN: 1573-0603
    Keywords: Anto-immune disease ; Cat ; Dog ; Flow cytometry ; Immunodeficiency ; Leishmaniasis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Clinical applications of flow cytometry to certain diseases of the dog and cat are now possible. The utility of such applications for diagnosis, prognosis and follow-up are illustrated here by a number of examples: feline AIDS resulting from FIV infection, Leukocyte Adhesion Deficiency in Irish setters, deep pyoderma in German shepherds, Immune-mediated Thrombocytopenia, canine Systemic Lupus Erythematosus and Leishmaniasis, Leukemia and Lymphoma.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009800310840
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  • 4
    Electronic Resource
    Electronic Resource
    The blood vessels of the cat girdle placenta. Observations on corosion casts, scanning electron microscopical and histological studies (1984)
    Springer
    Anatomy and embryology 170 (1984), S. 209-216 
    Details
    ISSN: 1432-0568
    Keywords: Placenta ; Fetal microvasculature ; Corrosion casts ; Scanning electron microscopy ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The fetal microvascular architecture of the feline near-term placenta was investigated using scanning electron micrographs of partially fractured corrosion casts from plastic-filled vessels. The findings were compared with those on corresponding semithin histological sections. The branches of both umbilical arteries and veins roughly follow a course parallel to the zonary girdle on the allantochorionic side of the feline placenta in an acute-angled pattern of ramifications. They join the double-layered capilary networks in the chorionic lamellae of the labyrinth, which generally exhibit a chorio-uterine orientation and are partially twirled. On the allantochorionic side of the labyrinth, these fetal capillary networks are “suspended” on the maternal stem-artery-system of the placenta; on the uterine side, they have peduncular or tuft-like endings of capillary loops and are flattened by the uterine septa, which at this level converge into the maternal veins. The chorionic capillary lamellae have a variable breadth and length and therefore need shorter or longer arterioles and venules from the allantochorionic side to become irrigated at any level of the labyrinth. As a result, the feline placenta is characterized by a generally one-way crosscurrent type of materno-fetal blood flow.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00319006
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  • 5
    Electronic Resource
    Electronic Resource
    An anatomical study of the projections from the dorsal column nuclei to the midbrain in cat (1984)
    Springer
    Anatomy and embryology 170 (1984), S. 29-43 
    Details
    ISSN: 1432-0568
    Keywords: Anatomy ; Anterograde tracing ; Dorsal column nuclei ; Midbrain ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The termination of the fibers from the dorsal column nuclei (DCN) to the midbrain has been investigated in the cat with the degeneration method, the anterograde horseradish peroxidase (HRP) method and autoradiography after 3H-leucine injections. The results show that the DCN project to several midbrain regions. The external nucleus of the inferior colliculus (IX) receives the heaviest projection from both the gracile and cuneate nuclei. The DCN fibers form three joint terminal zones in IX. Each terminal zone contains clusters with dense aggregations of DCN fibers. Fairly dense terminal networks are found in the posterior pretectal nucleus (PP) and the compact part of the anterior pretectal nucleus (PAc) as well. More scattered DCN fibers are present in the cuneiform nucleus (CF), the lateral part of the periaqueductal gray (PAG1), the red nucleus (NR), the nucleus of the brachium of the inferior colliculus (B), the mesencephalic reticular formation (MRF) and the intermediate and deep layers of the superior colliculus (SI, SP). The projections to all regions are mainly contralateral. Most of the few ipsilateral fibers terminate in IX. A somatotopic organization was seen in IX and NR. The gracile fibers terminate preferentially in the caudal and lateral part of IX and the cuneate ones preferentially in its rostral and medial part. In the red nucleus the gracile fibers terminate ventral to the cuneate ones. In the pretectal region there was a predominance for gracile fibers. There also appeared to be quantitative differences in the projections from various levels of the gracile nucleus, with more midbrain projecting fibers originating in the rostral than in the middle and caudal parts of the nucleus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00319455
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  • 6
    Electronic Resource
    Electronic Resource
    Anatomy of the cecum of the cat (1984)
    Springer
    Anatomy and embryology 170 (1984), S. 177-186 
    Details
    ISSN: 1432-0568
    Keywords: Cecum ; Cat ; Macroscopic anatomy ; Light, scanning and transmission electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In a series of comparative anatomical studies on the ceca of various mammals the cat was chosen as representative of a “typical” carnivore. In the domestic cat, the cecum is conspicuously small and macroscopically relatively undifferentiated in comparison to most herbivores. Microscopically (light, scanning and transmission electron microscopy), however, it is characterized by an abundance of goblet cells and enterocytes rich in organelles, suggestive of functional activity. In addition to the morphological description, which also includes arterial supply and mesenteries of the cecum, the discussion is focussed on 1) the possible functional significance of the numerous goblet cells 2) a general categorization of the different types of ileal-caeco-colical junctions and 3) speculations concerning the justification for considering the carnivore cecum as being rudimentary.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00319003
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  • 7
    Electronic Resource
    Electronic Resource
    The termination of spinomesencephalic fibers in cat (1984)
    Springer
    Anatomy and embryology 170 (1984), S. 265-277 
    Details
    ISSN: 1432-0568
    Keywords: Midbrain ; Spinal cord ; Cat ; Degeneration-HRP
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The projections to the midbrain from the spinal cord have been investigated in the cat with the degeneration technique and by using horseradish peroxidase (HRP) as an anterograde tracer. Two types of spinal cord lesions were performed: 1) Cordotomies at cervical or thoracic levels transecting the ventral and lateral funiculi. 2) Transections of the ventral, ventrolateral, dorsolateral or dorsal funiculus, respectively, at cervical levels. In the anterograde tracing experiments HRP was injected into the spinal cord at cervical, lumbar or sacral levels. The results show large projections to the lateral and ventrolateral parts of the periaqueductal gray (PAG1), the posterior pretectal nucleus (PP) and the nucleus of Darkschewitsch (D). More moderate projections go to the medial division of the periaqueductal gray (PAGm), the cuneiform nucleus (CF), the mesencephalic reticular formation (MRF), lateral part of the deep layer of the superio colliculus (SP) and magnocellular medial geniculate nucleus (GMmc), while scattered spinal fibers are present in the dorsal part of the periaqueductal gray (PAGd), the external inferior collicular nucleus (IX), the intermediate layer of the superior colliculus (SI), the lateral part of the red nucleus (NR) and in the Edinger-Westphal portion of the oculomotor nucleus (3). In addition a few fibers are present in the interstitial nucleus of Cajal (CA) and anterior pretectal nucleus (PAc). The results indicate that at midcervical levels most of the spinomesencephalic fibers ascend in the ventral funiculus, with only a moderate fraction ascending in the ventral half of the lateral funiculus. Almost no fibers ascend in the dorso-lateral funiculus and none appear to pass in the dorsal funiculus. No distinct somatotopic pattern was found in the spinomesencephalic projections, but more fibers from cervicobrachial segments terminate in the rostral than in the caudal parts of the terminal fields in PAG, CF, SP and IX, while the lumbar fibers were more numberous in the caudal parts. PP seems to receive spinal fibers mainly from the caudal half of the cord.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00318730
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  • 8
    Electronic Resource
    Electronic Resource
    An autoradiographic study of topographical relationships between pallidal and cerebellar projections to the cat thalamus (1984)
    Springer
    Experimental brain research 54 (1984), S. 95-106 
    Details
    ISSN: 1432-1106
    Keywords: Cerebellothalamic projections ; Pallidothalamic projections ; Ventral nuclei of thalamus ; Autoradiography ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Injections of 3H-leucine were made in the entopeduncular nucleus or dentate nucleus of the cerebellum in eight cats. The terminal projection zones of both pathways in the thalamus were studied using the sagittal plane and their relationships to one another as well as to cytoarchitectural boundaries of thalamic nuclei were compared. The data indicate that the territories controlled by the two projection systems are almost entirely segregated. The segregation is mainly along the antero-posterior axis as the main pallidal projection zone occupies the medio-ventral VA while the main dentate projection zone lies posterior to it in the VL. Furthermore, the dorsolateral part of the VA not occupied by pallidal projections receives dentate projections. In the VM, both afferent systems terminate in the lateral part of the nucleus with pallidal territory located anteriorly and dentate territory located posteriorly, again without overlap. As the delineations of nuclear subdivisions in the ventral thalamus of the cat have been a subject of some controversy, it is suggested that the boundaries of the VA, VL and VM in the cat thalamus be defined on the basis of basal ganglia and cerebellar projection zones.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235822
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  • 9
    Electronic Resource
    Electronic Resource
    Distribution of corticospinal neurons with collaterals to lower brain stem reticular formation in cat (1984)
    Springer
    Experimental brain research 54 (1984), S. 107-120 
    Details
    ISSN: 1432-1106
    Keywords: Corticospinal collaterals ; Sensorimotor cortex ; Corticobulbar pathways ; Fluorescent tracers ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The fluorescent retrograde double-labeling technique has been used to determine whether corticospinal neurons in the cat sensorimotor cortex distribute collaterals to the lower brain stem reticular formation. In this study the fluorescent tracers Nuclear Yellow and Diamidino Yellow 2HCl were used in combination with Fast Blue. One tracer was injected unilaterally in the spinal cord and the other was injected ipsilaterally in the bulbar medial reticular formation. The distribution of the retrogradely labeled neurons was studied in the contralateral hemisphere. In the sensorimotor cortex a large population of neurons was found which were labeled from the spinal cord and were double-labeled from the brain stem. These branching neurons were concentrated in the rostromedial part of area 4 and the adjoining lateral part of area 6. In this region the percentages of corticospinal neurons which were double-labeled from the brain stem ranged from 5% laterally to 30% medially. In two cats it was demonstrated by means of the anterograde transport of HRP that the corticobulbar fibers from this region which must include the corticospinal collaterals are distributed to the reticular formation of the lower brain stem. In view of the fact that the double-labeled neurons are concentrated in the anterior part of the motor cortex, those branching neurons are in all likelihood involved in the control of neck, back and shoulder movements. This control is probably exerted by way of two routes i.e. by way of the direct corticospinal connections to spinal interneurons, and by way of the indirect cortico-reticulospinal connections established by the cortical fibers to the bulbar reticular formation. The present findings suggest that this dual control may be exerted by one and the same cell.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235823
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  • 10
    Electronic Resource
    Electronic Resource
    Specialized subregions in the cat motor cortex: Anatomical demonstration of differential projections to rostral and caudal sectors (1984)
    Springer
    Experimental brain research 53 (1984), S. 259-276 
    Details
    ISSN: 1432-1106
    Keywords: Motor cortex ; Thalamocortical ; Corticocortical ; HRP ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary (1) Ipsilateral cortico-cortical and thalamo-cortical projections to the cat motor cortex were determined from the locations of retrogradely labeled neurons following single small intracortical injections of HRP in area 4γ. These projections were also examined by studying the distribution of anterogradely transported axonal label following multiple injections of HRP or of tritiated amino acids in areas 1–2 of SI and in area 2pri (SII). (2) The number of retrogradely labeled cells in areas 1–2 and in area 2pri differed markedly between HRP injection sites located in the precruciate (anterior sigmoid gyrus) and postcruciate (posterior sigmoid gyrus) subregions of area 4γ. These associational projections from primary and secondary somatosensory cortices were dense to postcruciate subrogions but weak to the precruciate subregions. (3) The associational projections from areas 1–2 and from area 2pri to the postcruciate subregion of area 4γ were topographically organized, but no clear topographic organization could be demonstrated for the precruciate projection. (4) Anterograde terminal labeling following injection of either HRP or tritiated amino acids into areas 1–2 and area 2pri confirmed the preferential projection of somatosensory cortex to the postcruciate subregion of motor cortex. The projection from somatosensory areas 1–2 was uniform over its terminal field, but that from area 2pri was more patchy and complex. (5) HRP injections in area 4γ gave rise to lamellae of labeled neurons in the ventrolateral nucleus of thalamus (VL). A topographic relationship was found between the site of injection and the location of the lamella of labeled neurons. (6) The percentage of retrogradely labeled neurons in the shell zone surrounding the border of the ventrolateral nucleus and the ventrobasal complex (VB) was greater following postcruciate than precruciate injections, whereas fewer retrogradely labeled neurons were found in central lateral nucleus (CL) after postcruciate injections than after precruciate injections. (7) These observations support the hypothesis that differential cortical and thalamic projections to different subregions of area 4γ may give rise to the different physiological properties of neurons observed in these subregions (Vicario et al. 1983; Martin et al. 1981).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00238155
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  • 11
    Electronic Resource
    Electronic Resource
    Pyramidal control of skin potential responses in the cat (1984)
    Springer
    Experimental brain research 54 (1984), S. 283-288 
    Details
    ISSN: 1432-1106
    Keywords: Skin potential response ; Cat ; Pyramidal tract ; Reticulospinal tracts
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Pyramidal command of Skin Potential Response (SPR) was investigated in 20 cats paralyzed by gallamine and under a halothane anaesthetic. For each animal, a transection of the medulla sparing only the pyramidal tract was carried out. The pyramidal tract and Mesencephalic Reticular Formation (MRF) were stimulated before and after the transection. Results taken before transection show that the SPR can be elicited from stimulation of the pyramidal tract and the MRF. After transection, stereotaxic stimulations of the pyramidal tract still evoked the SPR even after aspiration of the medullary tissue posterior to the section and overlying the pyramids. Control reticular stimulations with higher stimulus intensities failed to evoke the SPR. These results show that stimulation of the pyramidal tract can elicit the SPR independently of reticulospinal neurons. It is hypothesized that a group of corticospinal fibers could transmit volleys having autonomic activity on preganglionic autonomic neurons of the intermediate zone of the grey matter.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00236228
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  • 12
    Electronic Resource
    Electronic Resource
    Afferents to the cortical pupillo-constrictor areas of the cat, traced with HRP (1984)
    Springer
    Experimental brain research 54 (1984), S. 377-381 
    Details
    ISSN: 1432-1106
    Keywords: Pupillo-constrictor areas ; Afferents ; HRP ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Afferents of the cortical pupillo-constrictor areas (PCAs) of the cat were studied using the horseradish peroxidase method. PCAs receive heavy cortical inputs from areas 7, 19, 21, the lateral suprasylvian area, the splenial visual area, and subcortically from the claustrum, the intralaminar nuclei, the pulvinar-lateral posterior nuclear complex.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00236240
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  • 13
    Electronic Resource
    Electronic Resource
    The control of rapid limb movement in the cat (1984)
    Springer
    Experimental brain research 55 (1984), S. 134-144 
    Details
    ISSN: 1432-1106
    Keywords: Cat ; Tracking ; Isometric ; Updating ; Delayed feedback
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary 1. In cats trained to track a moving display by making rapid, isometric force adjustments, responses are characterized by extremely short reaction times (60–70 ms) and a stereotyped temporal configuration. The animal uses early derivatives of display movement to scale force responses to target stimuli of different sizes according to a learned relationship between initial display motion and required force (Ghez and Vicario 1978a, 1978b). In the present study we altered that relationship by using double stimulation and delayed feedback to assess the animals' ability to update their responses. 2. In experiments where a second target stimulus followed the first after a controlled interval (15–120 ms) on random trials, the animal modified its response in the appropriate direction with little or no increase in reaction time. When the second stimulus called for a return to baseline, the animal aborted the ongoing response. When the second stimulus called for a doubling of force, the animal increased its phasic force output; however, this increase was not sufficient to reach the new target level and late responses were emitted. 3. The control response which followed each experimental double stimulation trial showed consistent differences from other controls in the amplitude of both peak force and peak dF/dt. Control responses following trials calling for a return were reduced in size; those following stimuli requiring response doubling were increased. We concluded that the experimental trials not only elicited modification of ongoing responses but also caused the animal to alter its internalized gain function relating initial display derivatives to required force. 4. In experiments where feedback was delayed after giving a first target stimulus such that the compensatory display failed to reflect the animal's initial response, the animal emitted a new updated response 70–80 ms after the first. The display trajectory which caused the cat to update its response on delayed feedback trial was identical to that of control trials with long reaction times. In this case, however, the information eliciting response updating had to be derived as a difference between the actual display trajectory and that expected by the animal, based on its experience with the tracking task. This suggests that the animal develops an internal model of display properties which is used to determine when a new response is required.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00240507
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  • 14
    Electronic Resource
    Electronic Resource
    The transformation of cross-reinnervated slow-twitch muscle after deafferentation in the cat (1984)
    Springer
    Experimental brain research 55 (1984), S. 152-157 
    Details
    ISSN: 1432-1106
    Keywords: Deafferentation ; Cross reinnervation ; Contractile properties ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Cross-reinnervations were effected between the extensor digitorum longus and soleus muscles in the cat hind limb. At the same time dorsal root section or ganglionectomy was performed over segments L6-S1. Completeness of the deafferentation was subsequently confirmed either by dissection or by dorsal root recording. The isometric and forcevelocity properties of the muscles were measured. In animals with a unilateral cross plus deafferentation the conversion of the contractile properties of the normally slow-twitch soleus to those resembling a fast-twitch muscle was typical of that seen with an intact afferent supply. In cats with a bilateral cross-reinnervation and unilateral deafferentation there was no significant difference in the degree of transformation between the two sides. It is concluded that at least for the conversion of a slow-twitch to a fast-twitch muscle afferent feedback does not play a major role.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00240509
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  • 15
    Electronic Resource
    Electronic Resource
    Contralateral corticofugal projections to cat visual thalamus (1984)
    Springer
    Experimental brain research 53 (1984), S. 462-466 
    Details
    ISSN: 1432-1106
    Keywords: Visual cortex ; Contralateral connections ; Thalamus ; Cat ; Sub-cortical commissures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Contralateral corticofugal projections from visual cortical areas to thalamic nuclei were demonstrated in the cat using anterograde transport of tritiated proline. Thalamic nuclei receiving projections from contralateral visual cortex include both subdivisions of the lateral-posterior nucleus, the posterior nucleus of Rioch, and the posterior nuclear complex.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00238176
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  • 16
    Electronic Resource
    Electronic Resource
    An HRP study of the cat's spinal respiratory motoneurones during postnatal development (1984)
    Springer
    Experimental brain research 56 (1984), S. 458-467 
    Details
    ISSN: 1432-1106
    Keywords: Cat ; Postnatal development ; Phrenic motoneurones ; Intercostal motoneurones ; Horseradish peroxidase
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The localization and morphology of spinal respiratory motoneurones (phrenic and intercostal) were studied in the cat by retrograde labelling using Horseradish Peroxidase (HRP), at different stages of postnatal development. At birth, the distribution of the phrenic and intercostal motoneurones in the cervical and thoracic ventral horn, respectively, is similar to that observed in adult animals. At birth, the phrenic and intercartilaginous motoneurone somata have respectively 60% and 40% of their adult volume, appearing much more developed than the motoneurones involved in the motor control of limbs. During postnatal development, the phrenic and intercartilaginous motoneurones undergo a characteristic sagittal elongation without evident modification along their transverse axes. From birth, the ratio of the somatic volume to that of its corresponding motor column markedly decreases inside of the phrenic column compared to the data obtained in the limb's muscle motor columns by other authors. Similar determinations in intercostal motor columns give intermediate values between those obtained from the phrenic column and from the motor system. These results indicate that the motoneurones innervating the respiratory muscles have some specific features of development.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00237986
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  • 17
    Electronic Resource
    Electronic Resource
    Brainstem afferents to the lateral geniculate nucleus of the cat (1984)
    Springer
    Experimental brain research 54 (1984), S. 253-258 
    Details
    ISSN: 1432-1106
    Keywords: Lateral geniculate nucleus ; Pretectal nuclei ; Superior colliculus ; Parabigeminal nucleus ; Reticular formation ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The ascending connections from the brainstem to the dorsal division of the lateral geniculate nucleus were examined using retrograde transport of horseradish peroxidase. Labelled cells were identified in a variety of structures, including the nucleus of the optic tract (NOT), the posterior pretectal nucleus (NPP), the superior colliculus (SC), the parabigeminal nucleus (PBN), the midbrain reticular formation (MRF), locus coeruleus and nucleus sub-coeruleus, the substantia nigra (SN), and parts of the raphe complex. The projections from NOT, NPP, MRF, LC and PBN were all bilateral in origin. The most intense labelling was observed in the nucleus of the optic tract and the superior colliculus. Colliculo-geniculate cells were located primarily in the superficial gray lamina II1 and II2 of Kaneseki and Sprague (1974), but sparse labelling was also observed in lamina II3 and in statum opticum (lamina III). Consistent with the report of Harrell et al. (1982), these cells represent a morphologically diverse population, which includes stellate cells, granule cells, and both vertical and horizontal fusiform cells. A similarly diverse population of cell types contributes to the geniculate projection arising from NOT. These results confirm and extend earlier descriptions of the brainstem projections to the cat LGNd, and serve to emphasize the diversity of brainstem influences over the geniculate.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00236224
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  • 18
    Electronic Resource
    Electronic Resource
    Neck muscle afferent input to spinocerebellar tract cells of the central cervical nucleus in the cat (1984)
    Springer
    Experimental brain research 55 (1984), S. 286-300 
    Details
    ISSN: 1432-1106
    Keywords: Central cervical nucleus ; Spinocerebellar tract ; Neck muscle afferents ; Spinal cord ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Extracellular and intracellular recordings were made from spinocerebellar tract neurones of the central cervical nucleus (CCN) in C1–C3 segments of the anaesthetized cat. These neurones were identified by antidromic activation from the cerebellar peduncle. Stimulation of the ipsilateral dorsal root elicited extracellular spikes or EPSPs with a monosynaptic latency in almost all CCN neurones in the same segment (segmental input). Late excitatory effects were also observed in about one third of CCN neurones. The monosynaptic EPSP was occasionally followed by an IPSP. The excitatory input from the dorsal root to CCN neurones was extended over several segments for some CCN neurons (extrasegmental input). Monosynaptic excitation was evoked in CCN neurones after stimulation of dorsal neck muscle nerves as well; i.e. splenius (SPL), biventer cervicis and complexus (BCC), rectus capitus dorsalis, and obliquus capitus caudalis. Thresholds for this excitation were near the threshold of the nerve, suggesting that it originated from group I fibres. The component of excitation added after strong stimulation of neck muscle nerves would be attributed to group II fibres. When a CCN neurone received excitatory input from the nerve of one muscle, it was generally not affected by stimulation of other nerves in the same segment. Such muscle specificity of segmental input was the principal pattern of connexion of neck muscle afferents with CCN neurones. In some cases, however, excitatory convergence from SPL and BCC nerves onto single CCN neurones or excitation from the SPL nerve and inhibition from the BCC nerve were also observed. Nearly half of the CCN neurones received input from one muscle nerve of the same segment and not from the afferent of the same muscle of different segments, indicating a segment specificity of input. In the remaining CCN neurones, weaker excitatory effects were induced from afferents of different segments as well. In such extrasegmental effects, inputs to CCN neurones from caudal segments predominated in frequency over those from rostral segments. The origin of extrasegmental input was generally confined to the same muscle. Low threshold muscle afferents from the SPL and BCC were intraaxonally stained with HRP. The collaterals of the stained fibre distributed branchlets and terminals to the CCN, laminae VII, VIII, and motor nuclei. Two fibres responding to local muscle prodding or stretch showed a similar morphology. The findings indicated that muscle spindle afferents from primary endings projected to the CCN.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00237279
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  • 19
    Electronic Resource
    Electronic Resource
    A physiological study of identification, axonal course and cerebellar projection of spinocerebellar tract cells in the central cervical nucleus of the cat (1984)
    Springer
    Experimental brain research 55 (1984), S. 272-285 
    Details
    ISSN: 1432-1106
    Keywords: Central cervical nucleus ; Spinocerebellar tract ; Cerebellum ; Spinal cord ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Spinocerebellar tract (SCT) neurones in and around the central cervical nucleus (CCN) were physiologically identified by antidromic activation of these cells on stimulation of the cerebellum. Among the Spinocerebellar tract cells thus identified, those ascending the contralateral spinal funiculi were found in the CCN and ventralwards, whereas those ascending the ipsilateral funiculi existed mostly dorsal to the CCN partly overlapping with crossed cells in the nucleus. Mapping sites from which CCN cells were antidromically activated showed that axons of the CCN-SCT cross at the same segment, ascend the ventral funiculus initially, the lateral funiculus at rostral C1 and the lateral border of the medulla to reach the cerebellar peduncle, enter the cerebellum mainly via the restiform body but possibly also via the superior peduncle. Systematic mapping of stimulation within the cerebellum indicated that the CCNSCT projects to the medial part of the anterior lobe and the posterior lobe bilaterally. Projection to lobules I–II was found in almost all CCN-SCT cells examined. Three fourths of CCN-SCT cells projected to the posterior lobe, as revealed by less extensive mapping. Mapping of axonal regions of the same single CCN-SCT cells showed that they project multifocally in the cerebellum, where projection to lobules I–II was common and that to other areas varied with individual cells. Conduction velocites decreased within the cerebellum probably as the result of repeated branching. Mossy fibre responses evoked on stimulation of the C2 dorsal root in cats with the transected dorsal funiculi were shown to be mediated mostly via the CCN-SCT. Mapping the field potential showed that the response was by far the largest in lobules I–II. This suggested that the terminals provided by the CCN-SCT are the densest in these lobules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00237278
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  • 20
    Electronic Resource
    Electronic Resource
    Endogenous peroxidase-like activity in the feline dorsal column nuclei and spinal cord (1984)
    Springer
    Experimental brain research 55 (1984), S. 325-332 
    Details
    ISSN: 1432-1106
    Keywords: Endogenous peroxidase ; Light and electron microscopy ; Spinal cord ; Dorsal column nuclei ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Endogenous peroxidase-like activity was investigated with a combined light and electron microscopical technique in 15 cats. The lateral cervical nucleus, the dorsal column nuclei, and segments C6 and L5 of the spinal cord were incubated with diaminobenzidine-tetrahydrochloride (DAB) or tetramethylbenzidine (TMB). After histochemical reaction with DAB a considerable amount of activity was found in nerve cells, astrocytes and pericytes. The neuronal labelling was mainly located in mitochondria of axon terminals and in dendrites whereas the astrocytic and pericytic activity was found in cytoplasmic dense bodies. The quantity of stained structures differed considerably between the animals. In TMB reacted tissue endogenous peroxidase-like activity was only sparsely seen. It was found mainly in frozen sections, in which the neuropil and perivascular structures sometimes contained granules and irregular filaments. The significance of the findings is discussed in relation to observations in tracer studies using horseradish peroxidase.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00237283
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  • 21
    Electronic Resource
    Electronic Resource
    Effects of accessory optic system lesions on vestibulo-ocular and optokinetic reflexes in the cat (1984)
    Springer
    Experimental brain research 55 (1984), S. 49-59 
    Details
    ISSN: 1432-1106
    Keywords: Accessory optic system ; Vestibulo ocular reflex ; Optokinetic nystagmus ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Horizontal vestibulo-ocular reflex (VOR) and optokinetic nystagmus (OKN) were studied before and after lesions within the accessory optic system (AOS) in the cat. Post-lesion retinal input to the AOS was evaluated using the autoradiographic technique. Unilateral lesion of the lateral terminal nucleus of the AOS (LTN) and the resulting retinal deafferentation of the medial terminal nucleus of the AOS (MTN) induced a spontaneous nystagmus in the dark whose slow phase was directed ipsilaterally to the lesion. VOR gain was reduced for both directions with a maximal decrease for stimulation directed ipsilaterally to the lesion. OKN gain obtained for both directions of binocular stimulation was decreased, mainly when the stimulus was directed contralaterally to the lesion. After two postoperative weeks, spontaneous nystagmus disappeared and the VOR symmetry recovered simultaneously. A symmetrical OKN was only observed after one month. In spite of the known visual selectivity for vertical direction in LTN-MTN cells, the results of this study support a functional involvement of these nuclei in horizontal VOR and OKN.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00240497
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  • 22
    Electronic Resource
    Electronic Resource
    Differences between cats in response properties of horizontal semicircular canal primary afferents (1984)
    Springer
    Experimental brain research 56 (1984), S. 162-166 
    Details
    ISSN: 1432-1106
    Keywords: Vestibular nerve afferents ; Semicircular canal biophysics ; Semicircular canal time constants ; Vestibular neurophysiology ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The response properties of cat horizontal canal afferents (N = 81) were characterized by three parameters: their long time constants (τ), low frequency gain constants (G1), and middle frequency gain constants (Gm). An average value of each of these parameters was calculated for each of eight animals and comparisons were made across animals. There were significant differences between individual animals in their average values of τ and Gm. There was also a significant negative correlation between τ's and Gm's. An animal with a larger average τ tended to have a smaller average Gm. We also used anatomic data on membranous canal duct diameter from the literature to independently estimate the potential effect of interanimal anatomic variability on the predicted range of τ and Gm values in a population. We then compared the data from our 81 afferents with the predictions from the anatomic data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00237453
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  • 23
    Electronic Resource
    Electronic Resource
    Inspiratory on-switch evoked by stimulation of the mesencephalon: Activity of phrenic and laryngeal motoneurones (1984)
    Springer
    Experimental brain research 55 (1984), S. 197-204 
    Details
    ISSN: 1432-1106
    Keywords: Phrenic and laryngeal motoneurones ; Inspiratory on-switch ; Stimulation ; Mesencephalic structures ; Patterned response ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In anaesthetized cats (chloralose-urethan) the effects of brief tetanic electrical stimulation (50 to 100 ms) of the mesencephalic central gray matter and reticular formation on the inspiratory on-switch were studied during the expiratory (E) phase on the gross and unitary activities of phrenic, laryngeal inspiratory and laryngeal expiratory nerves. On the inspiratory laryngeal and phrenic nerves, stimulation elicited a short latency gross response concomitant with the train: the inspiratory Primary Response (Prim.R.) which is followed by an inspiratory Patterned Response (Patt.R.) of longer duration which corresponded to the inspiratory on-switch. The Patt.R. generally appeared from the Prim.R. within a latent period (Silent Phase: Sil.P.) as long as 100 ms. On the expiratory laryngeal nerve, stimulation elicited a brief activation (expiratory Prim.R.) concomitant with the beginning of the inspiratory laryngeal Prim.R. and which rapidly stopped as the latter continued during the stimulus train. The inspiratory Prim.R. corresponded to a simultaneous activation of both early and late (so defined during their spontaneous discharge) inspiratory motoneurones. The laryngeal motoneurones were more strongly activated than the phrenic ones. During the inspiratory Patt.R. all the phrenic motoneurones presented a recruitment delay earlier, compared with the spontaneous one, whereas the recruitment drastically changed from an inspiratory laryngeal motoneurone to another. Thus, the two pools of motoneurones presented different properties of activation. During the inspiratory Sil.P. no concomitant expiratory laryngeal activation was observed when most of the inspiratory motoneurones were inactive. As some inspiratory laryngeal motoneurones did not stop firing, the existence of some central respiratory neurones exhibiting a similar persistent activity and subserving the inspiratory on-switch mechanisms may be hypothesized.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00237270
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  • 24
    Electronic Resource
    Electronic Resource
    Ascending projections from the nucleus of the brachium of the inferior colliculus in the cat (1984)
    Springer
    Experimental brain research 54 (1984), S. 203-211 
    Details
    ISSN: 1432-1106
    Keywords: Ascending auditory pathway ; Inferior colliculus ; Medial geniculate body ; Cat ; Autoradiography
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Ascending projections from the nucleus of the brachium of the inferior colliculus (NBIC) in the cat were studied by the autoradiographic tracing method. Many fibers from the NBIC ascend ipsilaterally in the lateral tegmentum along the medial border of the brachium of the inferior colliculus. At midbrain levels, fibers from the NBIC end in the superior colliculus, the pretectum, the central gray and the peripeduncular tegmental region bilaterally with ipsilateral predominance. NBIC fibers to the superior colliculus are distributed densely to laminae VI an III throughout the whole rostrocaudal extent of the colliculus. In the pretectum, NBIC fibers terminate in the anterior and medial nuclei and the nucleus of the posterior commissure. NBIC fibers to the dorsal thalamus are distributed largely ipsilaterally. Many NBIC fibers end in the dorsal and medial divisions of the medial geniculate body, but few in the ventral division. The NBIC also sends fibers to the suprageniculate, limitans and lateralis posterior nuclei and the lateral portion of the posterior nuclear complex; these regions of termination of NBIC fibers constitute, as a whole, a single NBIC recipient sector. Additionally, the NBIC sends fibers to the centralis lateralis, medialis dorsalis, paraventricular and subparafascicular nuclei of the thalamus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00236219
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  • 25
    Electronic Resource
    Electronic Resource
    Locomotion in adult cats with early vestibular deprivation: Visual cue substitution (1984)
    Springer
    Experimental brain research 54 (1984), S. 395-405 
    Details
    ISSN: 1432-1106
    Keywords: Neonatal ; Bilabyrinthectomy ; Recovery ; Locomotion ; Vision ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Four cats labyrinthectomized shortly after birth (DELAB) exhibited the classical vestibular syndrome and recovery, while their motor development was otherwise unimpaired. As adults, they were tested for visual vestibular substitution in a locomotor task with either orientation requirements (tilted platforms) or balance requirements (narrow platforms). Visual motion cues or static visual cues were controlled using normal or stroboscopic lighting, or darkness. Measurements of the average speed of locomotion showed that: Although all cats increase their speed when more visual cues become available, a marked deficit occurs in darkness only in the DELAB cats. With either vestibular cues alone or static visual cues alone, cats are able to reach the same level of performance in the tilted platform test, which suggests a total visual-vestibular interchangeability in orientation. DELAB cats perform very poorly in the narrow rail test. When continuous vision is allowed in the narrow rail test the DELABs' performance rises but does not match that of the control group. A specific deficit in balance for the DELAB group is thus reduced by normal continuous vision as compared to stroboscopic vision, suggesting a significant, though imperfect, substitution of motion visual cues for the missing dynamic vestibular cues. Dynamic visual cues play only a minor role in most situations, when locomotory speed is high. This results support the view that both the vestibular and the visual system can subserve two distinct functions: dynamic information may stabilize the stance in narrow unstable situations, during slow locomotion. and static orientation cues may mainly control the direction for displacement. Possible interactions between head positioning and body orientation in the DELAB cats are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235464
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  • 26
    Electronic Resource
    Electronic Resource
    Shortage of binocular cells in area 17 of visual cortex in cats with congenital strabismus (1984)
    Springer
    Experimental brain research 55 (1984), S. 470-482 
    Details
    ISSN: 1432-1106
    Keywords: Congenital microstrabismus ; Cat ; Visual cortex ; Binocularity ; Visual axis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Twenty-nine pigmented offspring of an innately esotropic female cat exhibited varying deficits in the number of binocular cells recorded in area 17 of the visual cortex as compared to 12 normal cats. Misalignment of the two eyes in these cats was found in the awake as well as in the paralysed state. Pupillography combined with measurements of visual disparity yielded abnormal esotropia of up to 8.4° under paralysis, which corresponds to an abnormal convergence of the freely moving eyes of up to 14° (average 7.4°). In the majority of animals cortical binocularity was found reduced by the two eyes controlling independent sets of separate units (U-shaped ocular dominance distribution) whereas in 7 cats the reduction was due to a partial loss of one eye's influence. The proportion of monocular units correlated with the degree of crossover of the visual axes (r = 0.73). Anatomical investigation of the retinofugal projections revealed normal appearance in three previously recorded cats in which more than 50% of cortical units had been monocularly driven. The small angles of esotropia and the “normal” appearance of eye position judged by the pupillary positions in the orbit of these cats, might suggest that we found an animal model for microstrabismus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235278
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  • 27
    Electronic Resource
    Electronic Resource
    Electroretinographic responses and retrograde changes of retinal morphology after intracranial optic nerve section. A quantitative analysis in the cat (1984)
    Springer
    Experimental brain research 55 (1984), S. 483-493 
    Details
    ISSN: 1432-1106
    Keywords: Optic nerve section ; Cat ; Pattern ERG ; Retinal morphology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Previous experiments have shown that the ERG response to alternating gratings vanishes gradually within 4 months after transection of the optic nerve, changes begin after 2–3 weeks. The response to gratings of low spatial frequencies deteriorates earlier than the response to gratings of high spatial frequencies (Maffei and Fiorentini 1981). Quantitative analysis of ganglion cell sizes in retinal wholemounts shows that ganglion cell shrinkage and ganglion cell loss begin at three weeks in the periphery of the retina, particularly in the temporal retina. The same morphological alteration subsequently becomes apparent also in the area centralis and the nasal retina, respectively. The main and early cell loss occurs among medium sized ganglion cells, supposedly the beta-cells. Among the alpha-cells only shrinkage is observed up to two months postoperatively. Light- and electron microscopic examination of cross sections through the retina show that pathological changes are restricted to the innermost layers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235279
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  • 28
    Electronic Resource
    Electronic Resource
    Evidence for glutamate as a neurotransmitter in the cat vestibular nerve: radioautographic and biochemical studies (1984)
    Springer
    Experimental brain research 56 (1984), S. 523-531 
    Details
    ISSN: 1432-1106
    Keywords: Glutamatergic synapses ; Vestibular nerve lesion ; Vestibular nuclei ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Evidence that glutamate acts as a neuro-transmitter in vestibular nerve fibers was sought (1) by electron microscope radioautographic identification of the uptake sites of [3H]-glutamic acid after incubation of slices of cat vestibular nuclei, and (2) by measuring changes in sodium-dependent high affinity glutamate uptake in nerve endings containing homogenates from normal and deafferented vestibular nuclei 8 to 11 days after unilateral vestibular nerve lesion. Electron microscopic radioautography revealed that glutamate had been taken up by numerous nerve endings projecting over the whole vestibular nuclear complex. The biochemical approach indicated that after section of the vestibular nerve, a significant decrease in high affinity glutamate uptake occurred in the vestibular nuclei, which lost their exclusively ipsilateral projection. This decrease varied from one area of the deafferented vestibular nuclei to another, reaching −58% in the lateral area of the central part corresponding to the ventral lateral vestibular nucleus and the rostral part of the descending vestibular nucleus. It is concluded that glutamate (or aspartate) is used by the vestibular nerve fibers as a neurotransmitter in the vestibular nuclei.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00237993
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  • 29
    Electronic Resource
    Electronic Resource
    Origin of signals conveyed by the ventral spino-cerebellar tract and spino-reticulo-cerebellar pathway (1984)
    Springer
    Experimental brain research 54 (1984), S. 426-431 
    Details
    ISSN: 1432-1106
    Keywords: Spinal cord ; Scratch reflex ; Ventral spino-cerebellar tract ; Spino-reticulo-cerebellar pathway ; Cerebellum ; Cooling the nervous tissue ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary (1) The “fictitious” scratch reflex was evoked in decerebrate curarized cats by pinna stimulation. Activity of neurons of the ventral spinocerebellar tract (VSCT) from the L4 and L5 segments of the spinal cord as well as of neurons of the spinoreticulo-cerebellar pathway (SRCP) from the lateral reticular nucleus of the medulla oblongata was recorded. Cooling and destruction of different parts of the lumbo-sacral enlargement of the spinal cord were performed. (2) Cooling of the L5 or L6 segment abolished the rhythmic activity in the greater part of the spinal hindlimb centre but did not affect the generation of rhythmic oscillations in the remaining (rostral) segments of the lumbo-sacral enlargement. Under these conditions, neither the rhythmic activity of VSCT neurons located rostral to the thermode nor that of SRCP neurons changed. (3) A normal rhythmic activity of SRCP neurons also persisted after destruction of grey matter in the L3 and L4 segments. It can be concluded that activity of these neurons is independent of whichever part of the enlargement generates rhythmic oscillations. (4) From these observations a hypothesis is advanced that the main content of signals conveyed by the VSCT and SRCP to the cerebellum is the information regarding activity of the generator of rhythmic oscillations that is located in the L3-L5 spinal segments.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235467
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  • 30
    Electronic Resource
    Electronic Resource
    Corticocortical connections to the motor cortex from the posterior parietal lobe (areas 5a, 5b, 7) in the cat demonstrated by the retrograde axonal transport of horseradish peroxidase (1984)
    Springer
    Experimental brain research 54 (1984), S. 476-484 
    Details
    ISSN: 1432-1106
    Keywords: Corticocortical connections ; Motor cortex ; Areas 4, 5a, 5b, 7 ; Posterior parietal lobe ; Retrograde transport of HRP ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Neurons in the parietal region of the cerebral cortex, projecting to the ipsilateral distal forelimb area of the motor cortex (area 4γ) were identified in the cat brain using the horseradish peroxidase (HRP) retrograde tracing method. After making microinjections of HRP into the distal forelimb area of the motor cortex, clusters of HRP-labeled cell bodies were observed in different regions of the ipsilateral parietal cortex. In particular these clusters of labeled cells were found in areas 5a, 5b and 7. The area 5a cluster is formed from closely packed irregularly-shaped cells, the area 5b cluster is made up of dispersed medium-sized pyramidal cells, while area 7 contains a cluster of widely dispersed small pyramidal cells. Typically, labeled cell bodies were found in lamina III of cortex. Labeled cell bodies were neither observed in the contralateral cortex nor in the visual cortex (areas 17, 18 and 19). Since parietal cortex receives projections from primary somatosensory and visual cortex, the projections from parietal to motor cortex may well form the neural substrate for the processing of convergent sensory information used in voluntary movements.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235473
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  • 31
    Electronic Resource
    Electronic Resource
    The use of retrograde transport of horseradish peroxidase for studying the dendritic trees and axonal courses of particular groups of tract cells in the spinal cord (1984)
    Springer
    Experimental brain research 54 (1984), S. 529-537 
    Details
    ISSN: 1432-1106
    Keywords: Cat ; Rat ; Spinal tract neurons ; Retrograde HRP transport ; Procedure and evaluation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Modifications have been made in Mesulam's method for labelling neurons by retrograde transport of horseradish peroxidase, with tetramethylbenzidine as chromogen, with the object of increasing the extent of labelling of dendrites and axons. A procedure was devised specifically for studying spinomedullary and medullospinal tract systems, involving implanting easily-made HRP-agar pellets into areas of controlled damage in particular spinal fascicles, and sealing the site of implant with cyanoacrylate glue. Lesions of other fascicles were often made to limit transport to the implanted fascicle. Fourth-order dendrites were regularly labelled over long (30 cm or more) transport distances: axons were also labelled over this whole distance, often allowing exact study of the initial course of particular axons. Controls in both cat and rat showed that the uptake of HRP under these circumstances occurred almost wholly from the region of axonal damage at the site of implant which can be characterized histologically.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00235478
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  • 32
    Electronic Resource
    Electronic Resource
    Peripheral nerve phospholipids in acrylamide neuropathy (1984)
    Springer
    Archives of toxicology 55 (1984), S. 178-181 
    Details
    ISSN: 1432-0738
    Keywords: Cat ; Phospholipids ; Acrylamide ; Neuropathy ; Lipids
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Treatment of cats with acrylamide, either 7.5 or 15 mg/kg IM, once a day for 10 days, resulted in increases of 31 and 47% in the phospholipid content of sciatic nerve, respectively, from a control level of 41.1±2.7 mg/kg wet weight. Determination of the distribution of individual phospholipids indicated no significant differences between control cats and those receiving a cumulative dose of 150 mg/kg acrylamide. In a separate experiment, cats were treated with the 150 mg/kg dose of acrylamide and the sciatic nerve was divided into proximal and distal portions at the level of the triceps surae nerve. Significant increases in phospholipid content were observed in both the proximal and distal portions of peripheral nerve of the acrylamide-intoxicated cats. This effect was present even when the phospholipid content was expressed in terms of total protein, dry weight or total lipid. Total weight of nerve segments, however, was significantly decreased in the neuropathic animals. The data are consistent with a focal degeneration of axons with relative sparing of phospholipids.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00316124
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  • 33
    Electronic Resource
    Electronic Resource
    The representation of contrast and other stimulus parameters by single neurons in area 17 of the cat (1984)
    Springer
    Pflügers Archiv 401 (1984), S. 304-314 
    Details
    ISSN: 1432-2013
    Keywords: Visual cortex ; Contrast/response function ; Orientation and direction sensitivity ; Ocularity ; Binocular responses ; Feature specific responses ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The responses of neurons in area 17 were tested as a function of various stimulus parameters. The thresholds of individual cortical neurons were at contrasts between 0.01 and 0.1 (increment of 0.5×10−1 cd/m−2 on a background of 3 cd/m−2), the dynamic ranges were 1.0–2.0 log units of increment, and all cells showed a response decrease at increments above a certain maximum (supersaturation response). The averaged contrast/response curve for all neurons was S-shaped in the logarithmic plot, had a dynamic range of 2.5 log units, reached its maximum at a contrast of 0.75 and supersaturated above this level. The contrast/ sensitivity curves changed their slope under different stimulus conditions. They became flatter when the non-dominant eye was stimuated as compared to dominant eye stimulation or when the stimulation was done at a non-optimal orientation or direction, and they became steeper when both eyes were stimulated. But the maximum was reached at the same contrast and supersaturation was seen above maximum contrast no matter whether a cell was stronlgy (e.g. binocular stimulation at optimal orientation) or weakly excited (non-dominant or non-optimal orientation stimulation). After normalization, the averaged population contrast/response curves were virtually identical at all stimulus conditions. It was concluded, that range as well as maximum and supersaturation of cortical contrast/response curves are determined before the input reaches the cortex, and that the cortical cells summate, essentially, linearly. The findings furthermore demonstrate that the supersaturation of the cortical input must be due to subtractive inhibition, and that the same is true for the orientation sensitive inhibition in the cortex itself. Both, the peripheral contrast and the cortical orientation dependant inhibition cannot be explained by multiplicative inhibition. The fact, that the responses of neurons depend on many variables relativates their significance for feature representation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00582601
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  • 34
    Electronic Resource
    Electronic Resource
    Angioarchitecture of the pancreas of the cat (1984)
    Springer
    Cell & tissue research 235 (1984), S. 675-682 
    Details
    ISSN: 1432-0878
    Keywords: Endocrine pancreas ; Angioarchitecture ; Cat ; Scanning and transmission electron microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary By the use of scanningand transmission electron microscopy, the possible sources of errors in interpretation of the microcirculation of the pancreas can be reduced in comparison to the classical India-ink injection method. Sphincter-like structures in the capillary wall of the cat pancreas are established by pericytes. These sphincters encircle the junctional zones between the endocrine and exocrine capillaries. They are assumed to be regulatory structures of blood flow and to regulate indirectly hormone secretion according to demand.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00226968
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  • 35
    Electronic Resource
    Electronic Resource
    Scanning electron-microscopic study of Reissner's fiber in the caudal spinal cord of the cat and rabbit (1984)
    Springer
    Cell & tissue research 237 (1984), S. 181-183 
    Details
    ISSN: 1432-0878
    Keywords: Reissner's fiber ; Scanning electron microscopy ; Spinal cord ; Cat ; Rabbit
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary The caudal portion of Reissner's fiber was examined by scanning electron microscopy (SEM) in the spinal cord of the cat and rabbit. In some preparations of both species the fiber displayed in the sinus terminalis of the central canal either stump-like terminations or structural modifications such as knot-like swellings and convolutions. In the same area homogeneous material could also be found, which obviously originated from the disintegrating fiber.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00229214
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  • 36
    Electronic Resource
    Electronic Resource
    Ultrastructure of dynamic and static skeletofusimotor endings in a cat muscle spindle (1984)
    Springer
    Cell & tissue research 238 (1984), S. 151-158 
    Details
    ISSN: 1432-0878
    Keywords: Skeletofusimotor innervation ; Muscle spindles ; Cat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary Endings of four β skeletofusimotor axons in a spindle of the cat tenuissimus muscle were examined in semithin (1-μm thick) and ultrathin transverse serial sections. Two (dynamic) β axons terminated on the nuclear bag1 intrafusal muscle fiber and on extrafusal fibers of the dark type. Two (static) β axons terminated on the nuclear chain intrafusal fibers and extrafusal fibers of the intermediate type. The degree of indentation of axon terminals into the muscle surface, thickness of the sole plate and extent of folding of subjunctional membranes differed among intrafusal and extrafusal terminations of the same axon. Endings of β axons on the bag1 and chain fibers were also morphologically dissimilar. Motor axons may not determine ending morphology. Rather the form and structure of a β bag1 or chain ending may be determined by the type of intrafusal fiber on which the ending lies and the ending's distance from the primary sensory axon.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00215156
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  • 37
    Electronic Resource
    Electronic Resource
    Electronic structure of the PdCl42- and PtCl42-ions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 201-209 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electronic spectra of PdCl42- and PtCl42- are studied by quantum-chemical methods with the ultimate object being to understand the differences in reactivity for Pt(II) and Pd(II) complexes. Nonrelativistic ab initio UHF, DV - Xα, and MSXα methods give very similar assignments of the spectra for PdCl42-. The d-d spectrum for PtCl42-, which is very different from the d-d spectrum of PdCl42-, agrees qualitatively with the spectra obtained using the relativistic extended-Hückel (REX) and Dirac-Slater (DS) methods. Although the latter two methods disagree somewhat in the interpretation of the high intensity bands in PtCl42-, it appears reasonable to interpret at least one of the lines as a 5d → 6p transition.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250116
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  • 38
    Electronic Resource
    Electronic Resource
    Spin-orbit excitation in the system I + I2: Relativistically parameterized extended-Hückel calculationsPresented at the Symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 223-231 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Relativistically parameterized extended-Hückel (REX) calculations concerning species and exchange reactions in the system I or I* + I2 are reported, where I = 2P3/2 and I* = 2P1/2. From their experimental data for related halogen systems X + YZ XY + Z, E. B. Gordon, A. I. Nadkhin, S. A. Sotnichenko, and I. A. Boriev [(Chem. Phys. Lett. 86, 209 (1982)] have proposed a conservation rule for the spin-orbit state (X* → Z*, X → Z). The results of REX calculations, double-group symmetry analysis, and schematic state correlation diagrams reported here are consistent with the proposed conservation rule. Two of the transition states are linear and the third nearly so, but no Γ1/2-Γ3/2 crossings leading to spin-orbit conversion are found.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250118
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  • 39
    Electronic Resource
    Electronic Resource
    Relativistic studies of atoms and ions with complex configurationsPresented at the Symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 47-55 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The method of the relativistic investigation of the energy spectra and the electronic transitions in the case of complex configurations, based on the theory of the irreducible tensorial operators and the genealogical coefficients, is described. The use of the quasispin and isospin technique in the relativistic approximation is discussed. Expressions are presented for electric multipole transition probabilities for general values of the gauge condition of electromagnetic field potential.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250105
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  • 40
    Electronic Resource
    Electronic Resource
    Relativistic atomic structure theory: Some recent workPresented at the symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 23-46 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Recent developments in relativistic atomic structure have been more in terms of program improvement than in fundamental theory. Some comments on both aspects of this work are illustrated by a description of two different recent applications. In the first, we study the contribution of the interaction of relativity and correlation to the 2 3S-2 3P0,1,2 intervals in heliumlike ions, whose theoretical estimation is important for testing QED. The study of satellite structure in the Kβ x-ray emission spectrum of Ar illustrates a quite different use of the program packages developed at Oxford for investigating configuration interaction. The use of shake theory to predict the initial states, populated along with the primary vacancy giving rise to the diagram line, gives a satellite line intensity distribution which agrees very well with recent experimental spectra.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250104
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  • 41
    Electronic Resource
    Electronic Resource
    Isospin basis for atoms in relativistic approximationPresented at the Symposium on Relativistic Effects in Quantum Chemistry, Åbo Akademi, Finland, June 21-23, 1982. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 57-62 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The isospin basis is put into operation for investigation of atomic configurations, having two shells of equivalent electrons, characterized by the same orbital (LS coupling) or total (jj coupling) angular momenta of each electron. Tensorial properties of both the operators and the wave functions are studied in this basis. The two-particle operator is expressed in terms of the tensors irreducible in the isospin space. The problem of the additional classification of the levels is considered. The accuracy of the quantum numbers of the isospin basis in jj coupling scheme is discussed.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250106
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  • 42
    Electronic Resource
    Electronic Resource
    Use of the S-matrix in the relativistic treatment of resonance energy transfer (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 79-96 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The S-matrix formalism is used to treat the phenomenon of resonance energy transfer (sensitized fluorescence). It is shown that for dipole-allowed transitions and short sensitizer-acceptor separations, the relativistic treatment yields the same result as the nonrelativistic Perrin-Förster theory. For large sensitizer-acceptor separations, long-range coupling terms appear in the relativistic treatment. Resonance energy transfer through these long-range coupling terms is compared with spontaneous photon emission, and direct-interaction theories of electromagnetism are discussed. In the Appendix it is shown that the relativistic theory predicts resonance transfer of triplet excitation energy through the spin-spin coupling term in the Breit interaction.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250110
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  • 43
    Electronic Resource
    Electronic Resource
    Relativistic calculations of dissociation energies and related properties (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 131-148 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Methods of calculation of potential energy curves or surfaces, including dissociation energies, bond distances, and vibration frequencies, are discussed as well as recently obtained results for several molecules. The ab initio relativistic methods involve the derivation of “shape-consistent” effective potentials from Dirac-Fock atomic calculations. These effective potentials are averaged and differenced with respect to spin with the differences, p3/2 - p1/2, etc., yielding spin-orbit operators. The molecular calculations are then set up in a familiar manner through the SCF stage using spin-averaged effective potentials. The final stage is a configuration-interaction calculation including the spin-orbit terms as well as the electron repulsion terms. Calculations that have been made for several low-lying excited states as well as the ground state for Au2, TlH, Tl2, Sn2, and Pb2 are reviewed. Good agreement is obtained with spectroscopic data and a number of interesting predictions are made.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250113
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  • 44
    Electronic Resource
    Electronic Resource
    Relativistic corrections to the valence and conduction band edges of anisotropic semiconductors (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 263-263 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250120
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  • 45
    Electronic Resource
    Electronic Resource
    Announcement. International academy of quantum molecular sciences (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 273-273 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250121
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  • 46
    Electronic Resource
    Electronic Resource
    Groups of simple graphsPresented at the symposium on “Applications of Group Theory and Graph Theory to Chemistry,” Southeast/Southwest Regional Meeting, American Chemical Society, 1980. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 309-320 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The group structure of simple graphs can be found by factoring the adjacency matrix into cyclic blocks. The blocks correspond to permutational subgroups of the graph. The overall group structure is a product of the independent subgroups.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250204
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  • 47
    Electronic Resource
    Electronic Resource
    Calculation of localized molecular orbitals (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 355-365 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two techniques are presented for reducing the effort required to determine localized orbitals based on the energy or density criteria. The first, population weighted editing of the electronic repulsion integrals, reduces the effort required for each iteration of the localization procedure. The second, damping/extrapolation of the transformation matrix, reduces the number of iterations required to reach convergence. Numerical results are provided for methane and formaldehyde (for the editing method) and for carbon monoxide and boron fluoride (for the damping/extrapolation technique).
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250208
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  • 48
    Electronic Resource
    Electronic Resource
    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250301
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  • 49
    Electronic Resource
    Electronic Resource
    Calculation of systems involving strong delocalized bonds within a modified PCILO framework. I. Valence-bond PCILO method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 475-481 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In describing mesomer structures by the original PCILO method several problems may occur because of the use of localized bonds. A so-called VB-PCILO including a superposition of several mesomer boundary structures in the CI perturbation treatment will be proposed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250303
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  • 50
    Electronic Resource
    Electronic Resource
    Vibrational-rotational levels of diatomic RKR potentials (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 677-686 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The vibration-rotation levels for the diatomic RKR potential curve are solved using both perturbational and variational approaches. To obtain any-order correction of the energy from unperturbed parameters, an iterative scheme is formulated in the hypervirial framework. Variational calculations are carried out upon a rotationless Morse oscillator basis set and using a transformation technique to treat the effective potential energy function. Numerical results for the RbH X 1Σ+ state are obtained. The accuracy of the energy levels is tested by solving the Schrödinger equation by a numerical procedure.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250406
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  • 51
    Electronic Resource
    Electronic Resource
    Bonding in alkali metal homonuclear diatomics (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 723-731 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An analysis of the factors that contribute to the stability of the bond between alkali metal atoms is made by using nonorthogonal configuration interaction. Beyond the orbital size, the overlap of the valence orbitals of one atom with the core orbitals of the other accounts for most of the difference between the hydrogen molecule and the alkali metal diatomics. It is shown that the valence bond description does not provide a satisfactory description in any case except for the hydrogen molecule, and valence electron correlation using the p-type valence orbitals is essential.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250411
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  • 52
    Electronic Resource
    Electronic Resource
    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250501
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  • 53
    Electronic Resource
    Electronic Resource
    Vibronic coupling of electronic states. IV. Harmonic CBO potentials with equal minima positions - the influence of different vibronic coupling strengths on the electronic absorption and emission spectra containing a longest-wavelength electronically forbidden transition (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 687-697 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The influence of vibronic coupling between two harmonic CBO potentials with equal minima positions on the electronic absorption and emission spectra is investigated in the framework of our model using the variational procedure. The numerical results, being identical with those obtained through the vibronic coupling model of Fulton, Gouterman, and Brickmann, are discussed with regard to the longest-wavelength electronically forbidden transition, its vibrational structure, and the Stokes loss.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250407
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  • 54
    Electronic Resource
    Electronic Resource
    Molecular orbital studies on the structure of nucleoside analogs. IV. Conformation of 3-deazapurine nucleosides (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 743-752 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Conformational properties of 3-deazapurine nucleosides (namely, 3-deazaadenosine and 3-deazaguanosine) have been investigated by the PCILO method. Both C(2′)-endo and C(3′)-endo sugar puckers have been considered and the results indicate that the conformational preferences of these nucleoside analogs are quite different from those of their parent nucleosides adenosine and guanosine, respectively. This result has been correlated in terms of the biological inactivity of these nucleoside analogs.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250413
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  • 55
    Electronic Resource
    Electronic Resource
    Convergence problems in SCF calculations: Further applications of a new technique based on the use of inverse Fock operator (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 809-816 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A recently proposed orbital optimization technique based on the use of the inverse of the level-shifted Fock operator is successfully applied to a large number of pathologically divergent cases. The possibility of eliminating convergence problems by adopting a similar modification in the operation of the orthogonal gradient method is also successfully tested.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250505
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  • 56
    Electronic Resource
    Electronic Resource
    The band structure of porphyrinatonickel(II). A semiempirical crystal orbital study based on the tight-binding formalism (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 817-851 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The band structure of porphyrinatonickel(II) (2) has been studied by means of crystal orbital calculations that are based on the tight-binding approximation; the computational framework is a recently developed INDO model for transition metal compounds of the 3d series. The porphyrinato polymer has been studied in an eclipsed arrangement (2a) and in a staggered conformation (2b) where neighboring layers are rotated by 41°. The total energy of the metallomacrocycle has been decomposed into one- and two-center contributions; the latter interaction parameters have been fragmented into physically feasible resonance, exchange, and classical electrostatic (electron-electron, electron-core, core-core) interactions. It is shown that individual two-center potentials between atoms in neighboring layers are prevailingly determined by the electrostatic interaction energy. The NiNi coupling in the chain is highly repulsive; important stabilizing interactions are predicted between the 3d center of one cell and the electronegative N atoms in the neighboring layers. Stabilizing and destabilizing electrostatic interaction potentials largely compensate each other; the net stabilization in the polymer comes from the accumulation of resonance and exchange increments. The unoxidized Ni(II) porphyrinato polymer is an insulator. Several ligand bands (π, σ, and lone-pair) are predicted on top of bands with significant Ni 3d admixtures; the conduction band of the unoxidized strand is of ligand π* character. The dense manifold of ligand states in the vicinity of the Ni 3d states (3dz2, 3dx2-y2, 3dxz/3dyz) prevents the formation of bands in the polymer that are strongly localized at the 3d center. Ni 3dz2 and 3dx2-y2 interact strongly with ligand lone-pair and σ states. Avoided crossings between ∊(k) curves in k space lead to compositions in the various bands that differ significantly at the bottom and the top. The INDO crystal orbital formalism predicts a partial oxidation of ligand bands in derivatives of 2 that contain oxidants (e.g., halides). The theoretical findings derived for 2 are compared with available experimental data on highly conducting porphyrinatonicke(II) polymers (tetrabenzo and octamethyltetrabenzo derivatives of 2).
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250506
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  • 57
    Electronic Resource
    Electronic Resource
    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250601
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  • 58
    Electronic Resource
    Electronic Resource
    Calculation of bound-state energies from a variational functional method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 1023-1033 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A variational functional method is improved and generalized in order to obtain approximate bound-state energies of a wide variety of quantum-mechanical systems. Calculations on the discrete spectrum of the hydrogen atom in a magnetic field and the bounded harmonic oscillator show that the procedure is very promising.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250607
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  • 59
    Electronic Resource
    Electronic Resource
    A modified PCILO framework using the CNDO/Boyd-Whitehead parametrization (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 1055-1060 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The CNDO/BW modification of the CNDO/2 approximation was used within the PCILO framework. It was shown on some significant examples that all the good results of the original PCILO-CNDO/2 method can be reproduced by the modified version PCILO-CNDO/BW at least. Thus, preserving the quality of its results a computer-expense-reduced PCILO method is proposed for calculations on large molecular systems.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560250610
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    Ab initio Hartree-Fock approach to the study of polymers: Application to polyacetylenes (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 197-212 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An ab initio Hartree-Fock method devoted to the study of polymers is presented, truncation criteria for the exchange and the Coulomb series are discussed, and it is shown that the error in the total energy evaluation can be reduced to below 0.0001 a.u./cell with little computational effort. Results for six polyacetylene isomers are presented and compared with previous ab initio data obtained using the same basis set. In agreement with the experimental findings, the alternating all-trans structure is the most stable.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260205
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    Theoretical invstigations of the electronic states of porphyrins. I. Basis set development and predicted spectrum of pyrrole (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 237-250 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new minimum basis set was developed for use in computing excitation energies of large molecules. It is particularly suited to calculating ionization potentials and Rydberg transitions. Pyrrole excitation energies and oscillator strengths calculated with this basis set are compared to larger basis set ab initio and semiempirical results. The 6-eV band in the experimental spectrum is predicted to be the result of three Rydberg absorptions, with no underlying (π, π*) absorption. The calculations also provide an explanation for the observed N—H stretch in the 6-eV region.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260209
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    Theoretical investigations of the electronic states of porphyrins. II. Normal and hyper phosphorus porphyrins (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 251-274 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio methods have been used to calculate the ground and excited states of “normal” and “hyper” porphyrins. Perturbation theory and CI methods were used to determine differential ground and excited-state correlation effects for [Pv(P)F2]+ and [PIII(P)]+. A comparison is made to the INDO/S/CI predicted wavefunctions and spectra and to the experimental spectra of closely related molecules. The “hyper” [PIII(P)]+ calculations show some very low energy electronic transitions which provide an explanation for an anomalous “red” band in the spectrum and for the lack of fluorescence. Ab initio calculations also predict that (1) the lowest energy 1A1 state is a two-configuration wavefunction which can be described as a diradical, (2) the two lowest-energy singlet excited states are double excitations from the closed shell SCF configuration, and (3) a 3B2 state is very close in energy to the lowest 1A1 state.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260210
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    General harmonic oscillator integrals by the operator method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 339-347 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The operator technique with a minimum of commutator algebra is employed to calculate matrix elements of any number of operators between distorted, displaced harmonic oscillator wavefunctions. The results are valid for multidimensional integrals, and regardless of the extent of the Duschinsky effect. General recursion relations useful in machine calculations are given. The formalism is illustrated for the well-known one-dimensional Franck-Condon integrals.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260304
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    Localized molecular orbitals for multiple bonds in the ZDO approximation: The σ-π vs. banana bonds dilemma (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 383-403 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The multiple bond description supplied by localized molecular orbitals obtained within the ZDO approximation is analyzed. In particular, conditions for the appearance of σ-π separation and of continuous degeneracy of the localization sum against σ-π mixing are given for two current ZDO energy- and density-localization methods. Likewise, a convenient modification of the latter is presented together with some illustrative examples.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260307
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    A unitary group formulation of many-body theory: Diagram systematics and use of the spin shifts (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 125-143 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper shows that the spin-shift formalism developed in B. T. Pickup and A. Mukhopadhyay [Int. J. Quantum Chem. 26, 101 (1984)] supports a one-component diagrammatics which has a systematics akin to that in the spin-orbital many-body theory. The diagrams are neither Goldstone nor Yutsis type, and characterize the chain U(2R) ⊃ U(R)⊗SU(2) on which the spin-shift formalism is based. Accordingly, while the lines in such diagrams are labeled by the orbital indices, the diagram structure adequately reflects the irreducible representation of the group U(R). In this sense the paper presents a unitary group approach to the natural generalization of the usual many-body theory for the spin-adapted cases. A set of very simple rules is derived; their similarity with the corresponding rules in the ordinary many-body theory and practical utility are discussed in connection with (a) matrix elements over many-electron spin states and (b) closed- and open-shell many-body perturbation theory. A possibility of integral-driven many-body perturbation theory for open-shells is indicated. Connections of this formalism with others are also discussed.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260109
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    Electronic structure of the peptide linkage. I. Equilibrium geometry and electronic properties of formhydroxamic acid (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 183-196 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The equilibrium geometry of formhydroxamic acid has been calculated within the framework of the INDO-MO formalism. Various structural factors are analyzed and discussed in terms of the calculated force constants and charge distribution. The possibility of internal rotation around the C—N bond of formhydroxamic acid has been examined. The potential energy surface for the amide-imide tautomerism is explored by calculating the geometries and characterizing saddle points on that surface. The cyclic and open dimers of formhydroxamic acid are examined and the hydrogenbond energy and length are calculated.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260204
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    Usage de l'algkbre de lie su(n) dans l'etude des systèmes quantiques à n etats. III. Définition et obtention des constantes du mouvement conjoncturelles (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 479-488 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: From the density operator, some constants of the motion are defined and established. We suggest calling them conjunctural constants of the motion. It is proved that no more than n - 1 of them can be linearly independent. Using su(m) (m 〈 n ) subalgebra associated with the Hamiltonian-operator, it is shown how conjunctural constants of the motion can be expressed in terms of the coherence vector components.
    Notes: A partir de I'opérateur-densité d'un système quantique à n états, sont définies et calcultes des constantes du mouvement pour lesquelles est proposée I'appellation nouvelle de conjoncturelles. On établit qu'il en existe au maximum n - 1 linéairement indépendantes. A I'aide des sous-algèbres su(m) (m 〈 n ), on montre comment il est possible d'introduire, suivant la forme de I'hamiltonien, des constantes du mouvement conjoncturelles reliées aux composantes du vecteur de cohérence.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260406
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    Masthead (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260501
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    Theoretical approach of the chemical reactivity: The SN2 reaction (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 593-605 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this survey paper the different possible theoretical ways of treating the SN2 reaction are explained. It is shown that, in the future, experience and theory will very likely complement each other.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260504
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    The concept of the chemical bond (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 709-715 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The concept of the chemical bond is very old. Many interpretations have been proposed. Nevertheless, the problem is far from being solved. At the present time, the chemist has the choice between two models: the Lewis model (electron pairs) and the quantum model. In spite of a current opinion, both models are not logically equivalent. The localization of molecular orbitals is only a mathematical operation which does not involve any physic localization of the electrons. The loge theory is not more satisfying owing to the fact that loges with minimal fluctuation do not exist in all molecules. The theory of orbital domains seems to bring a solution. Nevertheless, its interpretation can be obtained only outside the strict framework of quantum mechanics.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260510
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    Convergence of LCAO density matrices in Hartree - Fock calculations on extended model chains (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 717-723 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Some mathematical implications of the extended nature of model chains are reviewed to call attention to their importance in electronic structure calculations at the restricted Hartree-Fock Roothaan level.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260511
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    The effect of an impurity in quasi-one-dimensional systems: Green's function and cluster model approach in comparison (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 753-768 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The problem of an impurity in a quasi-one-dimensional system is addressed. A hydrogen atom in a lithium chain serves as physical model. Two complementary descriptions, the cluster model approach with focus on local interactions, and the self-consistent Green's function approach which takes into account the extended nature of the system will be presented at the Hartree-Fock level. The results of both approaches are discussed in a comparative analysis.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260515
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    Quantum chemical studies on zeolites and silica (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 793-822 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: After mentioning differences in C—O and Si—O bonding and different structural types of silicates, the conclusion that interactions between external partners and surfaces of silica and zeolites are mostly dominated by van der Waals forces is discussed. Consequently, the theoretical treatment includes (i) selection of appropriate cluster models, (ii) application of nonempirical quantum chemical methods for obtaining interaction potentials, and (iii) statistical thermodynamic evaluation of adsorption characteristics. As examples vibrational frequencies of H2O and NH3 adsorbed on cationic sites, the interaction of conjugated hydrocarbons with Na+ sites, and the interaction of H2O with various sites on silica and zeolite surfaces are considered.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260519
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    A review of a theoretical model of the excitonic superconductivity in CdS and CuCl (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 831-841 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this review we briefly outline the model developed by Collins and co-workers [T. C. Collins, A. B. Kunz, and R. S. Weidman, Recent Advances in Quantum Theory of Polymers, J. M. Andre et al., Eds., Lecture Notes in Physics (Springer-Verlag, New York, 1979), Vol. 113, p. 240; T. C. Collins, M. Seel, J. J. Ladik, M. Chandrasekhar, and H. R. Chandrasekhar, Phys. Rev. B 27, 140 (1983)] for CdS and CuCl. The model should be applicable to organic semi-conductors. It is the outgrowth of the work of Little [W. A. Little, Phys. Rev. 134, 1416A (1964)], Devreese et al. [J. T. Devreese, A. B. Kunz, and T. C. Collins, Solid State Commun. 11, 673 (1972)] and a large amount of literature concerning He3 p-state [A. J. Leggett, Rev. Mod. Phys. 47, 331 (1975)]. This model is built around calculated band structures and the polarization of the valence band by conduction electrons at moderately high impurity concentrations. We extend the model to include both singlet and triplet paired spin states. The parallel paired states contribute a paramagnetic term to the susceptibility, and we discuss the conditions for this term to dominate over the diamagnetic term.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260521
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    Origin of high efficiency and specificity of biochemical reactions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 857-872 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is suggested that the extreme efficiency and specificity observed for chemical reactions in biological systems (compared to chemical reactions occurring under common chemical conditions) is mainly due to special features of these reactions. A key position is ascribed to the role of weak intermolecular interactions (also called noncovalent or van der Waals); in addition, the important role of the entropy and of cyclic or cavitylike shapes of numerous reaction sites, together with the influence of strong local electric fields on transport phenomena and reactivity are discussed. The greatest attention is paid to the applicability of computational methods for evaluation of weak intermolecular interactions, ranging from beyond Hartree - Fock methods to empirical potentials.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260523
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    A model of the primary process in photosynthesisA lecture presented at the Colloquium/Advanced Studies Institute on Mechanisms of Elementary Physico-Chemical Processes, Sorrento, Italy, May 2-14, 1983. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 917-931 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The arrangement of membrane-bound pigments, proteins, and lipids in the thylakoids of higher plants is described, and the role of the membrane in preventing the back-reaction is discussed. The photosynthetic bacterium halobacterium halobium is also described. A simplified quantum-mechanical picture of the primary process in photosynthesis is presented, and the mechanism of electron-hole separation in this picture is compared with the corresponding mechanism in a silicon solar cell. An appendix discusses the application of Frenkel exciton theory to the antenna effect.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260527
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    Probable physical mechanisms of the activation of oncogenes through carcinogens (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 955-964 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A brief review is given of the three main known biochemical mechanisms of human oncogene activation. The underlying possible physical and chemical mechanisms (both short- and long-range) caused by chemical carcinogens are also briefly discussed. The probable role in carcinogenesis of conformational solitons generated after the release of carcinogens previously bound to nucleotide bases is pointed out. For such a soliton the Hamiltonian is written down and the solution of classical equations of motion is outlined.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260530
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    Dynamics of enzyme reactions in solution and in heterogeneous media (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 943-953 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Enzymes are catalysts occurring in living cells. The aim of this paper is to describe some basic properties of enzymes and to understand on a physical basis how the intracellular milieu may control the kinetics of enzyme reactions. We shall therefore consider in succession some kinetic properties of enzymes in solution and the way cell surfaces and biological membranes control the dynamics of enzyme reactions. The choice of topics which have been selected in this paper is somewhat arbitrary and certainly reflects the tastes and the personal interests of the authors.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260529
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    A classification of polyenes into 4L + 2- and 4L-classes on the basis of Coulson's bond orders and information theory and its application to the interpretation of electrocyclic reactions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 993-1015 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that in the framework of the π-electron approximation even polyenes can be unambiguously divided into 4L- and 4L +2- classes. The classification scheme is based upon the sign alternation of the bond-order between the first and the last atoms and upon the different information content of the bond-order distribution for 4L- and 4L +2- polyenes, respectively. The classification has been shown to hold for the four lowest-lying electronic states: the ground state 1Ag-, the spectroscopically permitted excited state 1Bu+, the spectroscopically forbidden state 1Ag-, and the lowest triplet state 3Bu+ at all levels of sophistication in the π-electron approximation, ranging from the simple Hückel Hamiltonian to the PPP-multi-CI approach. It is shown that the proposed classification is valid also for heteropolyenes and polyenelike/heteropolyenelike fragments from complex organic molecules. The classification has been shown to be useful for the theoretical interpretation of thermo- and photoelectrocyclic reactions. The sign of the bond order between the first and the last atoms (or the average information content) determines unambiguously the topology of the forming cyclic transition state and, thence, the course and the mechanism of these reactions. The results obtained indirectly support the hypothesis that the lowest excited states in butadiene and hexatriene are of the type 1Bu+.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/qua.560260605
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    Introduction (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. vii 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260702
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    Convergence properties of Hartree-Fock SCF molecular calculations (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 1039-1049 
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    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Hartree-Fock equations are viewed as nonlinear algebraic equations that can be solved iteratively. Provided we assume the existence of a solution, valuable properties of convergence may be assessed. The close connection between convergence of the SCF procedure and stability properties of the solution is shown from a nonapproximate standpoint. The convergence features of level-shifting convergence-forcing techniques are analyzed. The connection between this nonlinear algebraic approach and the related gap equation is displayed and the example of the restricted Hartree-Fock hydrogen molecule is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260608
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    Many-electron theory of autoionizing states using complex coordinates: The position and the partial and total widths of the Ne+ 1s hole state (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 1017-1027 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This article presents the first results of the application of quantum mechanics with complex coordinates to the calculation of partial widths for the radiationless decay of an inner-hole excited autoionizing state, the Ne+1s2s22p6 2S. This is succeeded by the reduction of the multi-electron, multichannel problem in the complex energy plane to five, symmetry adapted, two-electron problems, in accordance with a published theory of many-electron resonances. These two-electron problems are solved independently by using rotated analytic Hartree-Fock orbitals (expressed in terms of Slater orbitals) for the localized components, and Slater plus Gamow orbitals for the rotated, asymptotic square-integrable functions carrying the width information. A recently proposed variational principle is employed for the optimization of nonlinear parameters. Within this independent asymptotic pair approximation (IAPA), our results for the partial widths to the five Ne2+ channels are (in 10-2 a.u.): 1s-2p2 1D: 0.560, 1S: 0.048; 1s-2s2p, 3P0: 0.029, 1P0: 0.154; 1s-2s2, 1S: 0.044. The total width is 0.835. These numbers agree reasonably well with those obtained by Kelly [Phys. Rev. A 11, 556 (1975)] from a many-body perturbation theory (MBPT) calculation, and by Howat et al. [J. Phys. B 11, 1575 (1978)] from a configuration-interaction in the continuum calculation. The most recent experimental results yield 0.604, 0.089, 0.063, 0.174, and 0.060, respectively, with a total width of 0.99. Previous real-coordinate many-electron calculations by Beck and Nicolaides-including relativistic and radiative effects-have predicted the position of the Ne+ 1s hole state at E0 = 870.4 eV above the Ne ground state. It has already been shown that the real energy corresponding to the localized component of the autoionizing state is stable under rotations of the function space describing it. Therefore, the earlier E0 can be incorporated into the present calculation in the complex plane. The shift due to the additive contribution of the IAPA is found to be - 0.09 eV. When this is added to E0, the final E = 870.3 eV is in excellent agreement with experiment [870.3 eV; T. D. Thomas and R. W. Shaw, Jr., J. Electron. Spectrosc. Relat. Phenom. 8, 45 (1976)].
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260606
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    The living state. XIII. Does matter become “mind”? (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 45-53 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Consciousness is defined as a “response potential” and is stated to be present in all modalities of physical universe. Given this, upon the gathering of interacting complex systems, new functional ensembles bearing “mind”-like or “mindal” properties arise. These properties are delineated. They would arise in a coupled system by producing an “order” or “action” parameter, allowing for adiabatic elimination of variables and enslavement of subsystems by it. Singularities, space-time asymmetry, and action would irrevocably ensue. An experimentally testable model of “mind” is thus projected.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260706
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  • 84
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    A model for the origin of biological information (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 73-86 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260710
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  • 85
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    Reproducibility of amino acid compositions in repeated copolymerizations of amino acids (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 103-108 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Amino acid analysis has been performed on the products of four simultaneous separate thermal copolymerizations of a set of 18 amino acids. Four analyses have been performed also on aliquots of one of the products. Standard deviations have been calculated for the analyses of the products of the four separate copolymerizations, and for the four aliquots of one copolymerization. All calculations indicate a high reproducibility in the copolymerization reactions.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260713
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  • 86
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    Hyperspherical coordinate representation of potential surfaces of large molecules (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 267-272 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In a previous study an energy criterion has been applied for the simplification of the enumeration problem of various conformers of biomolecules. In the present note, the above energy criterion is combined with a spatial criterion that in general leads to a reduction in the size of those domains of biomolecule potential surfaces within which the search for chemically important conformers is warranted. The above model and the conformational domains of primary interest can be formulated in a hyperspherical representation. Advantages and disadvantages of representing biomolecule potential surfaces in terms of hyperspherical coordinates are discussed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260728
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  • 87
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    Quenching of anionic free radicals by normal and transformed cells: A probe of phenotypic changes (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 309-314 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ability of three cultured cell lines (NRK, 6M2, and 54-5A4) derived from rat kidney to quench a population of ascorbyl and 2,6-dimethoxy-p-semiquinone free radicals has been investigated by electron spin resonance spectroscopy. The radical scavenging action of normal rat kidney (NRK) cells was the weakest, that of 6M2 cells (reversibly transformed phenotype) was four times stronger than NRK, and that of 54-5A4 cells (irreversibly transformed mutants of 6M2) was 10 times greater than NRK. Free radical quenching experiments were also performed on Chinese hamster ovary (CHO) cells. A much slower scavenging rate was observed for CHO cells of normal phenotype grown in the presence of dibutyryl cyclic AMP than was found for cells of transformed phenotype grown in its absence. The free radical quenching kinetics of the various cell lines studied directly paralleled their state of transformation.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260732
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  • 88
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    Introduction (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. iii 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260802
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  • 89
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    First principles charge transfer exciton theory of the UV spectrum of DNA (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 223-235 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Slater-Koster resolvent formalism of exciton theory, as proposed originally by Takeuti, has been applied to calculate charge transfer exciton states and to investigate hypochromism in polynucleotides. As a first step, spatially well localized ab initio Wannier functions (WFS) are calculated at the Hartree-Fock level using a two-phase (inter- and intramolecular) localization procedure for the Fourier transformation of the Bloch functions. The single particle energies, entering the Green's function of the polymer, are corrected for electron correlation effects with the help of second order Møller-Plesset (MP) perturbation theory. The interelectronic matrix elements, used in the MP calculation as well as in solving the resolvent problem for the excitons, are calculated in terms of the WFS. Singlet- and triplet-excitonic dispersions, oscillator strengths, the possible affects of ions, hydration, and aperiodicity on the exciton spectrum are discussed.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260724
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  • 90
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    Effect of nucleic acid flexibility upon ASIF (accessible surface integrated field). Possible significance for biochemical reactivity exemplified by aflatoxin B1 binding (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 273-286 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The extent of reactivity of a guanine in B-DNA toward aflatoxin B1 depends on the base sequence surrounding that purine in the double helix. In order to account for this variability, we have computed the ASIF (accessible surface integrated field) index for the N7 atom (at which the reaction occurs) of guanine in a G—C pair surrounded on both sides by different types of base pairs in a model oligohelix. When the conformation of the helix is maintained in the B-DNA form, the correlation ASIF reactivity is limited. A study is performed showing the influence on the ASIF index of different departures from the regular B-DNA conformation, likely to occur in a double helix. It is shown that the correlation ASIF reactivity can be strongly improved by allowing some local departures from this regular arrangement.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260729
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  • 91
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    The Leu5 gramicidin a analog: Molecular mechanics calculations and analysis of single channel steps related to multiplicity of conducting states (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 315-326 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Single-channel studies have shown that there exist a multiplicity of conducting states in Gramicidin A (GA). In an earlier work presented at this symposium, it was proposed that such a multiplicity may be expected from different long-lived side-chain distributions available for the channel molecule. In order to test this hypothesis, Leu5-Gramicidin A was synthesized and the effect of replacing the L · Ala5 residue by L · Leu5 was analyzed. First, molecular mechanics calculations on Leu5-Gramicidin A are presented. Then the single-channel conductance sweeps obtained for Leu5-GA are automatically analyzed in the computer using specifically developed algorithms. The results show a dramatic decrease in the multiplicity of states due to the Leu5 substitution. This experimental result is discussed in the light of structural concepts emerging from molecular mechanics calculations.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260733
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  • 92
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    Electronic Resource
    Hamiltonian dynamics of simple chemical reactions (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 347-353 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Hamiltonian formulation of chemical kinetics is applied to all closed, single-step, integer-order chemical reactions. In all cases, the dynamics of the Hamiltonian leads to the correct phenomenological rate equation. The relationship between reaction order and the form of the reaction potential is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260735
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  • 93
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    Nonenzymatic hydrolysis of RNA: Pb(II)-catalyzed site specific hydrolysis of transfer RNA. The role of the tertiary folding of the polynucleotide chainThe catalytic property of RNA offers a way around the perennial, chicken and egg problem of early evolution. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 355-366 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pb2+ specifically cleaves yeast tRNAPhe in orthorhombic crystals at phosphates P18 and P60 in the dihydrouridine (D) and pseudouridine (T) loops, respectively. Although there are three major lead binding sites in the tRNA, it appears that both cleavages are affected by the same lead ion. The P18 site is apparently the same site that is hydrolyzed by Pb2+ in solutions of the tRNA and is the major cleavage site in crystals. It is shown from P32 labeling studies with polynucleotide kinase that the products of Pb2+ cleavage have the 5′-hydroxyls on G18 and C60, and consequently the 3′ phosphates are on D17 and U59. The OH- in the first coordination sphere of the hydroxo complex Pb(OH)+ either directly or through a water molecule abstracts the proton of the 2′-OH of D17. This promotes a nucleophilic attack by 2′-O- on P18 with subsequent cleavage of the P—O5′ ester bond to generate the major Pb2+ cleavage product pG18-A76. The anchoring of the Pb2+ by the T-loop and D-loop residues seemingly provide the right environment for the generation of the hydroxo complex required for the hydrolysis. Additionally the strain of the phosphodiester conformation at P18 enhances the cleavage at that site. The Pb2+-catalyzed cleavage of tRNA exemplifies a mechanism used not only for the hydrolysis of transfer RNA but one potentially used by other RNA-catalyzed reaction utilizing metal ion cofactors.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260736
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  • 94
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    Electronic Resource
    Coupled-cluster method with optimized reference state (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 267-291 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We propose a variant of the coupled-cluster (CC) method in which spin orbitals of the reference Slater determinant are optimized in a self-consistent way. This approach is a reformulation of the Brueckner-Hartree-Fock (BHF) method used in nuclear physics and known also as the exact SCF method. We discuss the use of the reference-state determinants built of HF, natural, and Brueckner spin orbitals, with relations among them investigated in terms of the many-body perturbation theory (MBPT). It is shown that the Brueckner spin orbitals emerge as a convenient basis set in the coupled-cluster method and equations that determine these spin orbitals are found. The Brueckner spin orbitals can be calculated as eigenvectors of a certain Hermitian one-electron operator which has a form of the Hartree-Fock operator plus a “correlation potential” depending linearly on two- and three- electron cluster amplitudes. The usual decoupling scheme in the coupled-cluster method leads to a hierarchy of approximations; in the first nontrivial one the three-electron cluster amplitudes are neglected, and the two-electron ones are determined by solving Čižek's CPMET equations. We also analyze the problem of spatial, spin, and time-reversal symmertry in the CC and BHF methods. If (and only if) the reference-state determinant belongs to a one-dimensional representation of a certain symmetry subgroup of the system, the CC operator and the BHF one-electron operator are invariant with respect to this subgroup. Thus the restricted (entirely symmetry-adapted) version of the BHF method can be formulated only for the closed-shell systems. This is done for the above-mentioned approximate BHF method. We discuss also the usefulness of the BHF method in application to extended metallic systems.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260827
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  • 95
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    Introductory remarks (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 21-24 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260805
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  • 96
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    Formulas for three-center exchange integrals by computer implementation of the Löwdin α-function method (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 61-66 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By use of computer algebra and expansions of orbitals about a single center in spherical harmonics with a matrix representation for the α-function coefficients it is possible to produce formulas for each term of an infinite series that represents the value of a three-center exchange integral. Only seven terms are required to get six decimal digits for triatomic hydrogen. This method is readily generalized to solve all three-center exchange integrals over Slater-type orbitals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260810
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  • 97
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    The simulated ab initio molecular orbital (SAMO) method. VIII. A study of linear polyfluoroethylenes and polychloroethylenes (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 407-432 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The simulated ab initio molecular orbital (SAMO) method band structures of six fluorinated and six chlorinated polymers derived from linear polyethylene are presented and compared with extended Huckel and CNDO/2 studies and with the results of ESCA spectroscopy.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260838
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  • 98
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    Electronic Resource
    Perturbation theory studies of the hydrogen Zeeman effect - preliminary results (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 449-455 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The summation of the perturbation series for the hydrogen Zeeman effect using the renormalized series technique is studid. Improved results are obtained compared to those obtained from the unrenormalized series; the method has the advantage of not requiring any information on the largeorder behavior of the perturbation series coefficients.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260841
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  • 99
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    Fine and hyperfine structure of the two lowest bound states of Be- and their first two ionization thresholds (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 467-481 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The two lowest bound excited states of the Be- ion, 1s2 2s2p2 4P and 1s2 2p3 4S0, and their respective thresholds, Be 1s2 2s2p 3P0 and Be 1s2 2p2 3P, and the thresholds of these, Be+ 1s2 2s and Be+ 1s2 2p, have been examined using many-body methods. Here, we present the electron affinities (EAs) or ionization potentials, fine and hyperfine structure, and the electric dipole transition probabilities associated with these states and compare them with existing theory and experiment when available. Based on our new EA, a suggestion is made as to why no negative ion transition has yet been seen in the laboratory.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260843
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  • 100
    Electronic Resource
    Electronic Resource
    Frequency dependence of dc electric-field-induced second-harmonic generation (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 525-536 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We derive theoretical experessions for molecular third-order frequency-dependent susceptibilities which represent dc electric-field-induced second-harmonic generation. Our results are valid also if some of the molecular eigenvalues are degenerate as long as the molecular ground state is nondegenerate. The results are in suitable form for quantitative applications, either to small atoms or molecules or to large organic conjugated or aromatic molecules.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260848
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