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  • 1970-1974  (1,526)
  • 1965-1969  (1,364)
  • 1950-1954
  • 1940-1944
  • 1900-1904
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Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Naunyn-Schmiedeberg's archives of pharmacology 265 (1970), S. 372-382 
    ISSN: 1432-1912
    Keywords: Diabetes ; Glucuronates ; Insulin ; Liver ; Uridine-Diphosphateglucuronic acid ; Diabetes ; Glucuronide ; Insulin ; Leber ; Uridindiphosphat-Glucuronsäure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The synthesisin vitro of o-aminophenol-glucuronide by liver tissue has been investigated in diabetic rats. Insulin deficiency was induced by withdrawal of insulin in alloxan treated, insulin substituted rats or by injection of anti-insulinserum. The hepatic formation of o-aminophenol-glucuronide was strongly reduced under these conditions. This result could not be explained by differences in the activity of the UDP-glucuronyl-transferase. However, the concentration of UDP-glucuronic acid in liver tissue of the diabetic rats was also decreased to 50% of control values whereas the amount of UDPG was augmented. These findings are consistent with the observation that the activity of UDPG-dehydrogenase, the enzyme catalyzing the formation of UDP-glucuronic acid from UDPG, is reduced in the liver of diabetic or fasting rats. The activity of the UDPGA-pyrophosphatase which is responsible for inactivation of the nucleotide, has been found to be unchanged in the diabetic animals.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1432-2072
    Keywords: 5-Substituted N,N-Dimethyltryptamines, α-Methyltryptamine, and Gramines ; Monoamine Oxidase Inhibitors ; Psychopharmacology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Three series of derivatives of N,N-dimethyltryptamine, α-methyltryptamine and gramine bearing substituents of varying electronic nature on the C-5 position were tested for acute toxicity, effect on barbiturate sleeping time, antireserpine effect, swim maze, variable interval conditioned behavior, and inhibition of monoamine oxidase. No correlation could be made between the electronic effects and their pharmacological activities. It was thus suggested that there exist different pharmacological receptors for the tryptamines and gramines.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 17 (1970), S. 14-33 
    ISSN: 1432-2072
    Keywords: Serotonin ; Hydroxytryptamine ; Psychopharmacology ; Psychology, physiological
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Comparison of rats given single or multiple injections of p-chlorophenylalanine (PCA) was used to assess non-serotonergic actions of the drug as well as providing information on the behavioral effects of serotonin (5-HT) depletion. In Experiment I all groups acquired an active avoidance response in accordance with decreased levels of 5-HT in the CNS and independently of probable PCA or phenylalanine levels. In Experiment II 5-HT depletion facilitated passive avoidance; again, independently of PCA levels. In Experiment III rats were run in an open field for 15 min with or without periods of extra stimulation by intense light or sound. Serotonin-deficient animals were more active than controls under conditions of extra stimulation but slightly less active without extra stimulation. Experiment IV showed that PCA in doses that do not reduce ad libitum drinking can depress quinine intake. It is suggested that 5-HT depletion makes rats more “reactive” to external stimulation.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 17 (1970), S. 34-48 
    ISSN: 1432-2072
    Keywords: Psychopharmacology ; Narcotic Analgesics ; Codeine-Pethidine-Methadone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In the concurrent food-reinforced and avoidance schedules, codeine, pethidine and methadone reduced the rate of response on avoidance and foodreinforced levers, reduced the number of avoided shocks at the highest dosages only, and caused variable modifications of the delay. At low doses methadone increased the rate of response. In the “carried extinction” test, codeine and pethidine reduced the rate of response in all the experimental situations; in certain cases methadone had the opposite effect. In the conditions of operant inhibition, the inhibitory action of shock was increased by codeine; it was reduced, over a narrow range of doses, by methadone and, less regularly, also by pethidine. The relative analgesic potency of the compounds studied does not correspond to their relative behavioral potency.
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 1432-2072
    Keywords: Psychopharmacology ; Diphenylhydantoin ; Anxiety ; Hostility ; Psychiatric Status Rating Scales
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary In a six-week double-blind cross-over study, DPH, 100 mg, t.i.d., was found to be markedly more effective than DPH, 5 mg, t.i.d., used as a placebo, in reducing symptoms relating to anger, irritability, impatience, and anxiety. The psychoactive properties of DPH were demonstrated by both self-ratings and physician ratings of change. Improvement when changing from 5 mg to 100 mg was matched by worsening when changing from 100 mg to 5 mg. Patients in the controlled study were selected on the basis of the presence of symptoms of anger, irritability, and anxiety, a social class more typical of private patients than clinic patients, and a Barron Ego Strength score of 40 or above. No undesirable side effects were encountered.
    Type of Medium: Electronic Resource
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  • 6
    ISSN: 1432-2072
    Keywords: Chlorpromazine ; Short-Term Memory ; Memory Decay ; Memory Consolidation ; Passive Avoidance ; Psychopharmacology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Chlorpromazine in doses of 0.5 mg/kg was administered to mice 0.5, 2, or 10 min after a one-trial passive avoidance learning experience. The drug produced effects on the magnitude and rate of extinction of the learned response dependent upon the injection, time, confirming results contained in an earlier report. In a second experiment with doses of 2.0 mg/kg, the effects of further injecion times were investigated. The drug had no effect when given 240 min before learning, but produced maximal blocking of response acquisition when given 120 and 8 min before learning. Drug injections 6 and 3 min before learning were suggested as having actions on post-learning memory traces. A distinction was noted between the effects of drug injections 1 and 1.5 min after learning and this was related to an effect on a rapidly decaying short-term memory trace. Chlorpromazine had no effect when given 20 min after learning.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 18 (1970), S. 108-117 
    ISSN: 1432-2072
    Keywords: Cannabis (Marijuana) ; Alcohol ; Psychopharmacology ; Placebos ; Drug Abuse
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Regular users of marijuana (cannabis sativa) were given smoked and orally administered marijuana, a placebo, or alcohol. They were unable to distinguish between smoked marijuana and the tetrahydrocannabinol-free placebo. The oral administration of tincture of cannabis produced primarily dysphoric symptoms and was similar to alcohol in this respect. The smoked marijuana altered pulse rate, time estimation, and EEG, but had no effect on a measure of field dependence or on a digit symbol substitution task. Both drugs appeared to be mild intoxicants in a laboratory setting. Consideration of the dose, prior experience with drugs, setting, and possible cross tolerance of marijuana and alcohol are important in evaluating the significance of the clinical effects.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 17 (1970), S. 391-398 
    ISSN: 1432-2072
    Keywords: Conflict Behavior ; Anti-Anxiety ; Chlordiazepoxide ; Pentobarbital ; Psychopharmacology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract A punishment discrimination (“conflict”) was conditioned in rats by simultaneously rewarding with food (sweetened, condensed milk) and punishing with shock all lever responses made in the presence of an auditory stimulus. Chlordiazepoxide and pentobarbital were administered in order to compare degrees of attenuation of conflict behavior relative to the production of behavioral debilitation. Chlordiazepoxide produced the maximum attenuation at doses that produced only minimum debilitation. In general, conflict attenuation (“anti-anxiety”) was greater under chlordiazepoxide while general debilitation (behavioral toxicity) was greater for pentobarbital.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 18 (1970), S. 366-377 
    ISSN: 1432-2072
    Keywords: Cyclazocine ; Nalorphine ; Opiate Antagonists ; Subjective Report ; Psychopharmacology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The subjective effects of two doses of cyclazocine (0.6 mg and 1.2 mg/70 kg), nalorphine (16 and 32 mg/70 kg), no-drug and placebo were compared with 32 opiate addicts using drug sensitive scales of the Addiction Research Center Inventory (ARCI) items. The effects of these narcotic antagonists were highly similar on ARCI scales and items. Both drugs produced a general drug effect, difficulty in focusing eyes, physical weakness, tiredness, poor motivation, moodiness, misery, anxiety, tension, hallucinations, changes in sensation and perception, and inefficiency of physical, cognitive and social functions. Cyclazocine was 15–26 times more potent than nalorphine. The effects of cyclazocine and nalorphine were differentiated from the effects of other drugs such as morphine, pentobarbital and LSD when the overall pattern of effect was considered.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Pflügers Archiv 321 (1970), S. 1-14 
    ISSN: 1432-2013
    Keywords: CNS ; Hypoglycemia ; Insulin ; Metabolism ; Phospholipids ; Hypoglykämie ; Insulin ; Phospholipide ; Stoffwechsel ; ZNS
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung An Kaninchen in Pernocton®-Narkose wurde die Wirkung hoher Insulingaben auf Gesamtphospholipide und verschiedene Phospholipidkomponenten von Großhirn, Großhirnrinde, Kleinhirn und Medulla oblongata in zeitlicher Beziehung zur abnehmenden Blutglucosekonzentration und der elektrischen Hirnfunktion untersucht. 1. Statistisch signifikante Verminderungen im Gehalt der Phospholipide traten in Großhirn, Großhirnrinde und Kleinhirn erst mit Unterschreiten einer bestimmten, regional unterschiedlichen, kritischen Blutglucosekonzentration auf. In der Medulla oblongata war keine signifikante Abnahme der Phospholipidgehalte nachweisbar. 2. Es erfolgte keine Veränderung der Phospholipidgehalte einzelner Hirnanteile, wenn durch gleichzeitige Insulin- und Glucoseverabreichung die Blutglucosekonzentration erheblich erhöht wurde. 3. Die Verminderung endogener Phospholipide des Gehirns während Insulinhypoglykämie wird mit einem der Energiebildung dienenden Abbau sowie einer verzögerten Neubildung erklärt.
    Notes: Summary The effects of insulin in massive doses on total phospholipids and individual phospholipid fractions of cerebrum, cerebral cortex, cerebellum and medulla oblongata was studied on rabbits in Pernocton® anaesthesia. The experiments were performed in order to correlate the time course of the decrease in blood glucose with phospholipid changes and concomitant electrographic patterns of the CNS. 1. Statistically significant decreases in phospholipid content of cerebrum, cerebral cortex and cerebellum did not take place until blood sugar levels were lowered to a critical concentration. This concentration was found to be different in various parts of the brain. In the medulla oblongata no significant decrease of phospholipid content was detected. 2. No effect on regional phospholipids was observed when blood sugar levels were highly increased above normal levels by simultaneous administration of insulin and glucose. 3. The decrease in brain lipid phosphorus during insulin hypoglycemia is explained by a diminished rate of synthesis as well as a breakdown of phospholipids vielding energy supply.
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  • 11
    Electronic Resource
    Electronic Resource
    Springer
    Archives of toxicology 26 (1970), S. 1-7 
    ISSN: 1432-0738
    Keywords: Insulin ; Suicide ; Determination of Insulin in Autopsy Material ; Insulin ; Suicid ; Insulinnachweis an Leichenmaterial
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Es wird über einen 50jährigen Diabetiker berichtet, welcher sich in suicidaler Absicht insgesamt 1080 E Insulin Novo lente s.c. injiziert hatte und innert 26 Std verstorben war. Post mortem war der Nachweis des exogenen Hyperinsulinismus durch quantitative Bestimmung des freien Insulins im Serum und an den Injektionsstellen gelungen.
    Notes: Summary A case is described in which a 50 yr. old diabetic with suicidal intention injected a total of 1,080 units of lente insulin (Novo) s.c. and died within 26 hrs. It was possible to demonstrate the exogenous hyperinsulinism post mortem by quantitative determination of free insulin in the serum and at the injection site.
    Type of Medium: Electronic Resource
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  • 12
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 18 (1970), S. 94-98 
    ISSN: 1432-2072
    Keywords: Psychopharmacology ; Reserpine Antagonism ; Electroconvulsions ; Antidepressant Screening
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The adynamic, ptotic, hypothermic and conditioned avoidance response blocking effects of reserpine were studied in normal rats and in rats subjected to electroconvulsions for 5 days. Prior exposure to electroconvulsions blocked only the hypothermic response of reserpine. The relevance of this observation to the screening of antidepressant drugs by studying the reserpine antagonism is discussed.
    Type of Medium: Electronic Resource
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  • 13
    ISSN: 1432-2072
    Keywords: Chlorpromazine ; Dose-response ; Psychopharmacology ; Behavioral Response ; Fixed Dose
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Fixed daily doses of chlorpromazine (CPZ), in the amounts of 150, 300, and 600 mg were administered orally to chronic schizophrenic inpatients for 24 weeks while psychiatric and ward behavioral responses were monitored at regular intervals. It was found that within the dose range used response could be shown to be dose related, particularly early in the course of treatment (4–12 weeks). CPZ in the amount of 150 nig/day was found to be an effective dose relative to placebo, but was generally less effective than 300 or 600 mg/day. Little difference in clinical response was demonstrable between the 300 and 600 mg doses of CPZ except in the frequency of side effects and possible speed of onset or therapeutic effects, both being greater in the 600 mg group.
    Type of Medium: Electronic Resource
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Psychopharmacology 18 (1970), S. 333-345 
    ISSN: 1432-2072
    Keywords: Chlorpromazine ; Passive Avoidance ; Dissociation of Learning ; Psychopharmacology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Mice given one-trial passive avoidance training were examined 24 hours later for retention of the acquired response. Testing was carried out with subjects given either chlorpromazine or saline injections before the test session. Three chlorpromazine doses (0.5, 2.0, and 3.5 mg/kg) were used, and three injection times (10, 90, or 180 min before testing). Chlorpromazine was found to impair the expression of the acquired response, both by depressing its initial elicitation and also by apparently facilitating extinction. A second experiment confirmed that extinction rate was indeed increased. A clear dosage effect was observed but injection time was not important in determining the drug's effect. Further experiments were undertaken to clarify the interpretation of the drug's action; in particular, the possibility that the effects might have been caused by a dissociation of learning between the training and test situations was examined. It is suggested that the elevated extinction rates observed during testing when subjects were given chlorpromazine represents a temporary effect resulting from the reduced stimulus control of behaviour. Permanent effects of pre-test drug administration were noted on the initial expression of the learned response.
    Type of Medium: Electronic Resource
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  • 15
    Electronic Resource
    Electronic Resource
    Springer
    Acta diabetologica 7 (1970), S. 211-219 
    ISSN: 1432-5233
    Keywords: Abnormal insulin ; Heredity of diabetes ; Insulin ; Insulinase ; Pathogenesis of diabetes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Resume Sur la base de la résistance à l'action de l'insulinase non purifiée de rat et à l'index d'incorporation du glucose14C administré par voie intrapéritoneale dans le glycogène du diaphragme de rat, on a démontré l'existence de différences entre l'insuline purifiée immunologiquement et extraite par le plasma de diabétiques jeunes et par le pancréas de certaines sujets affectés de diabète de la maturité d'une côté et insuline normale de l'autre. La différence semble être héritée ainsi que facteur mendelien simple.
    Abstract: Resumen Basándose en la resistencia a la acción de la insulina sin purificar procedente de ratón y al índice de incorporación del glucosio14C suministrado por vía intraperitoneal en el glicógeno del diafragma de ratón, se ha demostrado la existencia de diferencias entre la insulina purificada inmunologicamente y extraída del plasma de diabéticos jóvenes y del páncreas de algunos pacientes enfermos de diabetes maduro por una parte y la insulina normal por la otra. La diferencia parece ser heredada como factor mendeliano simple.
    Notes: Riassunto Sulla base della resistenza all'azione di insulinasi grezza di topo e all'indice di incorporazione del glucosio14C somministrato per via intraperitoneale nel glicogeno del diaframma di topo, è stata dimostrata l'esistenza di differenze fra insulina purificata immunologicamente ed estratta dal plasma di diabetici giovani e dal pancreas di alcuni soggetti affetti da diabete maturo da una parte e insulina normale dall'altra. La differenza sembra essere ereditata come fattore mendeliano semplice.
    Type of Medium: Electronic Resource
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  • 16
    Electronic Resource
    Electronic Resource
    Springer
    Acta diabetologica 7 (1970), S. 1004-1021 
    ISSN: 1432-5233
    Keywords: Computer ; Glucagon ; Glucose ; Glucose utilization ; Insulin ; Mathematical model ; Oral glucose tolerance test
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Les Auteurs ont élaboré un modèle analogique pour la simulation des courbes glycémiques et insulinémiques qu'on obtient après surcharge orale de glucose chez l'homme. Le modèle analogique simule avec bonne approximation les courbes obtenues expérimentalement chez un groupe de sujets normaux. Les caractéristiques, les limites et les éventuels advantages du modèle proposé sont discutés.
    Abstract: Resumen Los Autores han elaborado un modelo analógico para la simulación de las curvas glicémicas e insulinémicas que se obtienen después de carga oral de glucosa en el hombre. El modelo analógico simula con una buena aproximación la marcha de las curvas obtenidas experimentalmente en un grupo de individuos normales. Se exponen las características, los límites y las posibles ventajas del modelo propuesto.
    Notes: Riassunto Gli AA. hanno elaborato un modello analogico per la simulazione delle curve glicemiche ed insulinemiche che si ottengono dopo carico orale di glucosio nell'uomo. Il modello analogico simula con buona approssimazione l'andamento delle curve ottenute sperimentalmente in un gruppo di soggetti normali. Vengono discussi le caratteristiche, i limiti ed i possibili vantaggi del modello proposto.
    Type of Medium: Electronic Resource
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  • 17
    ISSN: 1432-5233
    Keywords: Glucose ; Human adipose tissue ; Insulin ; Isolated fat cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Resume L'insuline agit de stimulus pour l'incorporation de l'114C du glucose dans le CO2 produit par les cellules adipeuses humaines isoléesin vitro. Cet effet est mis en évidence seulement par des concentrations assez élevées de l'hormone, dans les conditions expérimentales décrites dans ce travail. En même temps on peut aussi mettre en évidence l'effet antilypolitique de l'insuline, en faible quantité, seulement avec des concentrations assez élevées de l'hormone dans le médium d'incubation. La présence de glucose dans le médium d'incubation provoque une libération augmentée du glycérol et une libération diminuée des acides gras.
    Abstract: Resumen La insulina estimula la incorporación del 114C de la glucosa en el CO2 producido por células adiposas humanas aisladasin vitro. Dicho efecto parece ser evidente sólo con concentraciones bastante elevadas del hormón y en las condiciones experimentales descritas en el presente estudio. De manera análoga el efecto antilipolítico de la insulina se puede evidenciar, aunque limitadamente, sólo con concentraciones relativamente elevadas del hormón en el medio de incubación. La presencia de glucosa en el medio de incubación provoca una liberación mayor de glicerol y una liberación menor de los ácidos grasos.
    Notes: Riassunto L'insulina stimola l'incorporazione dell' 114C del glucosio nel CO2 prodotto da cellule adipose umane isolatein vitro. Tale effetto sembra essere evidente solo con concentrazioni abbastanza elevate dell'ormone, nelle condizioni sperimentali descritte nel presente lavoro. Analogamente, anche l'effetto antilipolitico dell'insulina è evidenziabile, in modesta entità, solo con concentrazioni relativamente elevate dell'ormone nelmedium di incubazione. La presenza di glucosio nelmedium di incubazione provoca aumentata liberazione di glicerolo e diminuita liberazione degli acidi grassi.
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  • 18
    ISSN: 1591-9528
    Keywords: Galactose infusion ; Glucose ; Insulin ; Blood ; Excretion ; Men ; Galaktoseinfusion ; Glucose ; Insulin ; Blut ; Ausscheidung ; Mensch
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung 1. Gesunden Personen wurde Galaktose über einen Zeitraum von 6 Std infundiert, die konstanten Zufuhrraten betrugen 0,3, 0,5 und 0,75 g/kg/Std. Zwei Versuchspersonen erhielten Galaktose und Glucose gleichzeitig, je 0,5 g/kg/Std. Galaktose und Glucose im Blut und Urin wurden enzymatisch bestimmt, Insulin wurde radioimmunologisch nachgewiesen. 2. Galaktosezufuhrraten von 0,5 und 0,75 g/kg/Std führen während der ganzen Infusionszeit zu einem kontinuierlichen Anstieg der Galaktose im Blut, die Ausscheidung im Urin verläuft dazu parallel. Ein „steady state“ ergibt sich nur bei einer Zufuhr von 0,3 g/kg/Std. 3. Zu Beginn der Galaktoseinfusion zeigt sich ein geringer Anstieg der Glucose im Blut, spätestens nach 75 min ist der Ausgangswert wieder erreicht; von da ab verändern sich die Glucosespiegel nicht mehr. 4. Galaktoseinfusionen führen zu Glucoseverlusten im Urin. Die Gesamtausscheidung der Glucose innerhalb einer sechseinhalbstündigen Sammelperiode liegt zwischen 1 und 4 g. 5. Wenn gleichzeitig mit der Galaktose Glucose infundiert wird, ist der Galaktoseanstieg im Blut deutlich geringer, dafür steigt die Glucose bis auf Werte über 200 mg% an, nach 150 min ist aber ein konstanter Glucosespiegel erreicht. Die Galaktosurie ist geringer, die Glucosurie größer. 6. Die Plasmainsulinspiegel steigen nur während einer Galaktosezufuhr von 0,75 g/kg/Std um 11 μE/ml (p 〈 0,025) durchschnittlich an; niedrigere Zufuhrraten zeigen keine signifikanten Änderungen des Plasmainsulins. 7. Alle Galaktosezufuhrraten bewirken einen Abfall der freien Fettsäuren im Plasma, gegen Ende der Infusionen steigen diese aber wieder an. 8. Die Verwertung von Galaktose nimmt mit steigender Zufuhrrate zu; unter einer Zufuhr von 0,75 g/kg/Std werden durchschnittlich 42 g Galaktose/Std verwertet. 9. Als Nebenwirkungen hoher Galaktosezufuhrraten beobachteten wir gelegentlich Kopfschmerzen, Übelkeit und abdominale Beschwerden.
    Notes: Summary 1. 14 healthy volunteers received galactose infusions over a 6 h period intravenously by means of an infusion pump. Administration rates used were 0.3, 0.5 and 0.75 g/kg/h. In addition, two further individuals received a mixed galactoseglucose infusion of 0.5 g/kg/h of each hexose. Galactose and glucose in blood and urine were determined enzymatically at regular 1/2 h periods, insulin was assayed radioimmunologically. 2. 0.5–0.75 g/kg/h galactose cause a continuous rise of galactose blood level, the urinary galactose excretion paralleles the blood level, a steady state, however, is found only using an administration rate of 0.3 g/kg/h. 3. Glucose in blood during galactose infusion shows a short initial rise with subsequent fall to preinfusion level without further gross change. In addition to a rising galactosuria there is a small but definite increase of glucosuria. The overall glucosuria within a 6 1/2 h collecting time ranges, depending on the infusion rate used, between 1–4 g. 4. If at the same time glucose is administered together with galactose, there is a significantly smaller rise of galactose in blood. Glucose rises up to 200 mg% and reaches a constant blood level after 150 min. Galactosuria decreases, glucosuria increases. 5. Insulin in plasma rises only 11 μU/ml using an infusion rate of 0.75 g/kg/h, other administration rates do not cause a significant change of plasma insulin level. 6. Free fatty acids drop during the first hours of the infusion, rising, however, towards the end of the infusion. 7. Galactose retention increases with elevation of the administration rate. Using an infusion rate of 0.75 g/kg/h, 42 g galactose/h are retained. 8. Eventually galactose infusions may cause headache, nausea and abdominal discomfort.
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  • 19
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 97-107 
    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: 1 Ill.
    Type of Medium: Electronic Resource
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  • 20
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 431-450 
    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 one-centre CI wave function for HeH+ reported by Stuart and Matsen for 0.1 ≤ R ≤ 5.0 has been analysed in detail from the viewpoint of molecular formation. Further, by means of a natural orbital analysis, it was possible to obtain some measure of the electron correlation contained within such wave functions for various R values. These effects were illustrated by means of a series of difference maps for the electron density. One- and two-particle expectation values were obtained as a function of R. Thus, it was possible to study several aspects of the influence of the proton on the electron charge cloud as we pass from He through to the united atom Li+. The occupation numbers within the natural expansions were compared with those which arise from a similar analysis of a two-centre wave function for HeH+. The “character” of such wave functions for HeH+, and also for He and Li+, were analysed and compared.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 21
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 465-486 
    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 quadrupolar and octupolar distortion of the ions in the He-sequence caused by an external electro-magnetic field has been studied by a variation-perturbation method in the Hartree-Fock scheme. For certain frequencies singularities appear in the response of the system to the perturbation. Approximate representations for the excited d and f states have been obtained from a study of these resonances. Such a perturbation calculation has the advantage that representations of the different excited states are obtained independently. The orthogonality to all the lower lying levels of the same symmetry is not required. The only source of inaccuracy implicit in the procedure lies in the improper consideration of the inter-electronic interaction. This is corrected for by an independent calculation, which is again formulated in terms of a perturbation treatment. The resulting wave functions for the excited states are accurate in the Hartree-Fock model. Expectation values of several operators have been calculated with these corrected wave functions.
    Additional Material: 1 Ill.
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  • 22
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    International Journal of Quantum Chemistry 4 (1970), S. 365-387 
    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 utility of the separated electron pair (SEP) model (strongly orthogonal geminals) is examined quantitatively, for pyramidal and planar nuclear configurations of the NH3 molecule. The best SEP wave function computed for each species is capable of recovering about half of the correlation energy obtained by a fairly accurate configuration interaction (CI) calculation, (corresponding to roughly 25% of the total molecular correlation energy). It is illustrated that the model can be systematically extended with only a modest effort to yield more accurate results (about 40% of the total correlation energy). The fact that the corrections to the SEP model have a simple physical interpretation suggests that this model may be a useful starting point for “brute force” CI calculations on larger chemical systems.
    Additional Material: 23 Tab.
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  • 23
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    International Journal of Quantum Chemistry 4 (1970) 
    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
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  • 24
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    International Journal of Quantum Chemistry 4 (1970), S. 451-452 
    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
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  • 25
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    International Journal of Quantum Chemistry 4 (1970), S. 503-518 
    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 calculations using a small Gaussian basis set, including 3d orbitals on the sulphur atom, have been performed on the fluorosulphate radical and the related ions SO3F+ and SO3F-. A new SCF procedure is described and applied to the open shell cases discussed here. The results are compared with recent CNDO calculations and with the experimental transition energies of the radical.
    Additional Material: 4 Tab.
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  • 26
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    International Journal of Quantum Chemistry 4 (1970), S. 519-527 
    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: Polikanov's perturbation method for the solution of the radial Schrödinger equation is shown to be equivalent to the usual Rayleigh-Schrödinger method but with full normalization instead of intermediate noralization. The energy corrections are shown to be the same to all orders. The computational advantages of Polikanov's method are discussed. The method is illustrated by considering the two-electron ions in the Hartree-Fock approximation.
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  • 27
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    International Journal of Quantum Chemistry 4 (1970), S. 533-539 
    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 mathematical model of a molecule is proposed. The electronic structure is described using a molecular orbital wave function constructed from a small number of spherical Gaussians with optimized parameters. The models exhibit the desirable properties of numerical stability, objectivity and transferability. Results are given for CH4, C2H6, cyclo-propane, H2O, CH2O and C2H4. They can be given a chemical interpretation in terms of chemical bonds, lone pairs and atomic cusps.
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  • 28
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    International Journal of Quantum Chemistry 4 (1970), S. 1-3 
    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 perturbation variation treatment of two-electron atoms using exp (-αr〈 - βr〉) as the zeroth order wave function is presented. The parameters α and β are variationally determined and the results are compared with the “physical” choice α = Z, β = Z - 1, and with Z-1 theory. The energy is given through fifth order in the perturbation.
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  • 29
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    International Journal of Quantum Chemistry 4 (1970), S. 529-532 
    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 systems C2H4F+ and C2H4CH3+ have been investigated by the SCF-MO-P (LCGO) method. It will be shown that the results agree with the empirical rule of Markownikoff. An explanation of the rule of Markownikoff is given by means of the computed results.
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  • 30
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    International Journal of Quantum Chemistry 4 (1970) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 31
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    International Journal of Quantum Chemistry 4 (1970), S. 579-586 
    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 detailed study of the performance of the Morse, the Hulburt--Hirschfelder and the Lippincott potential energy functions has been carried out by comparing them with the Rydberg-Klein-Rees potential energy curves for a number of electronic states of various diatomic molecules. Further, by employing the above potential energy functions, the radial Schrödinger equation has been solved for the vibrational energy levels, G(v), and the vibrational wave functions, ψv. The latter have been employed to determine the rotational constants, Bv, for the individual vibrational energy levels. Then the molecular constants, we, wexe, weye, Be, αe and γe for the various electronic states, have been computed by using the values of G(v) and Bv. A comparison of the molecular constants derived in this manner with the experimental ones reveals better agreement, in most cases, than that reported by previous workers.
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  • 32
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    International Journal of Quantum Chemistry 4 (1970) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 33
    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 MC-LCAO-MO approach, described in the preceding paper, is further applied to the benzene cation. Through the iteration process the π-electron energies and the molecular shapes are computed for the ground and two lowest excited states of the cation in both D6h and D2h geometries. A remarkable fact obtained is that a comparatively small variation of the geometrical structure (c. 0.010 - 0.013 Å bond length difference) brings about a considerable change of the energy value (c. 0.85 - 1.25 eV).The π-electronic excitation energies obtained from the iteration process are compared with the transition energies calculated from the usual method in which the structures of the excited states are assumed to be the same as the corresponding ground state structures. The difference in the excitation energy between the cation and the anion, and the CI effect on the excited states, are discussed. It is found that the doubly excited configurations play an important role in CI, which is somewhat different from that of the singly excited configurations. The stabilization energy due to the Jahn-Teller distortion is estimated for the ground state of the cation.
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  • 34
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    International Journal of Quantum Chemistry 4 (1970), S. 149-172 
    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 the aim of the present paper to give a mathematically oriented foundation of BW-perturbation theory, which is along the lines of Kato's previous work for RS-perturbation theory. For this purpose we firstly derive the expressions of BW-perturbation theory by the use of the contour integral method (Kap. I). In Kap. II sufficient criteria for the convergence of BW-perturbation theory are derived and applied to the 1/Z-expansion of the isoelectronic series of the He atom. The characteristic differences of the derivation and convergence properties of the two different kinds of perturbation theory are discussed in detail.
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  • 35
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    International Journal of Quantum Chemistry 4 (1970), S. 219-221 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 36
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for solving the Hartree-Fock problem in a finite basis set is derived, which permits each orbital to be expanded in a different basis. If the basis set for each orbital φi contains the basis functions for the preceding orbitals, φi-1, φi-2,… φ1, then the φi form an orthonormal set. One advantage over the standard Hartree-Fock method is that a different long range behavior for each orbital, as for example is required in the Hartree-Fock-Slater method, can be forced. A calculation on the ground state of beryllium is performed using the nested procedure. Very little energy is lost because of nesting, and the node in the 1s orbital disappears.
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  • 37
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    International Journal of Quantum Chemistry 4 (1970), S. 389-395 
    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 group-theoretical method is presented whereby the number and identity of the non-zero components of a property tensor in a (molecular or crystalline) environment of low symmetry may be determined.
    Additional Material: 4 Tab.
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  • 38
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    International Journal of Quantum Chemistry 4 (1970), S. 427-429 
    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 analytical conditions are obtained and discussed under which the vibronic equations for dimers can be decoupled.
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  • 39
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An upper bound for E0, which has been derived from the conjugate eigenvalue problem by Hall, is discussed. It is emphasized that the bound is only guaranteed when V is negative-definite. An alternative bound is presented which is free from this restriction, and the underlying iterative procedure is given. Hall's result is generalized to admit internuclear distances, and the theory is illustrated by a one-dimensional system with delta-function potentials. Some disadvantages of the approach are mentioned.
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  • 40
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    International Journal of Quantum Chemistry 4 (1970), S. 625-630 
    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: Extended Gaussian orbital basis set calculations have been carried out on an assumed staggered and eclipsed classical geometrical configuration of C2H5+. The best total energies obtained for these geometries were -78.170692 a.u. and -78.170674 a.u. respectively, corresponding to a barrier to internal rotation of 1.8 × 10-5 a.u. or 11 kcal/mole. An analysis of the charge density matrix indicates that charge is distributed in these molecules in a manner consistent with the concept of hyperconjugation.
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  • 41
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    International Journal of Quantum Chemistry 4 (1970), S. 631-631 
    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
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  • 42
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    International Journal of Quantum Chemistry 4 (1970), S. 57-72 
    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 polarization of closed shells in an alternant radical due to the field of its unpaired electron is discussed. It is shown that the Hartree-Fock solution is unstable relative to a small perturbation caused by polarization of closed shells in a long polyene radical. Its ground state is found to be antiferromagnetic with a forbidden zone in the spectra of one-particle excitations.
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  • 43
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    International Journal of Quantum Chemistry 4 (1970), S. 73-87 
    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 structure of the benzyl radical in its ground state has been computed using a model Hamiltonian due to Pariser-Parr with full configuration interaction as well as with different truncated configurational sets built on SCF open-shell orbitals. The correlation energy corresponding to this model was found to be equal to -0.929722 eV. With the singly excited configurations only 18% of this energy is taken into account. By extending the basis to include the doubly excited configurations one can account for 94% of the correlation energy. An analysis of the accuracy of the proton hyperfine splitting calculation caused by inaccurate computation of the wave function is given. If only singly and even doubly excited configurations are taken into account one cannot hope to obtain splittings with an accuracy of more than 0.5 g. Inclusion of triply excited configurations lowers this error by one order. In addition, the use of the simple McConnell relation may lead to an error in splitting calculations of no less than 1.5 g.
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  • 44
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    International Journal of Quantum Chemistry 4 (1970), S. 89-95 
    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: Self-consistent perturbation theory is introduced to facilitate making small, simultaneous variations in orbital exponents. This is accomplished by interpreting these variations as perturbations on the quantum mechanical system. The minimum-energy condition yields a set of linear equations for the desired exponential corrections.
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  • 45
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    International Journal of Quantum Chemistry 4 (1970), S. 121-121 
    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
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  • 46
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    International Journal of Quantum Chemistry 4 (1970), S. 173-189 
    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: Further energies for types of N2O4 valence structures (or valence formulae) are reported. The results indicate that two sets of formulae might give satisfactory distributions of the mobile σ-electrons. These are (i)Resonance between covalent and ionic formulae ((B) and (D) of Part II[8]);(ii)A non-paired spatial orbital formula ((F) of Part II [8]).One estimate of the σ-bond order for the NN bond is 0.4-0.5. For this, (i) is to be preferred, because it involves a much lower energy than (ii). But should the order be about 0.7, the energies of (i) and (ii) are similar, and both descriptions are satisfactory.The ionic formula of (i) involves non-localized bonding for the NO2+ moiety. It may be replaced by a formula with localized bonds, and an almost identical energy.
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  • 47
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    International Journal of Quantum Chemistry 4 (1970), S. 257-270 
    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 upper and lower bounds to the first few eigenvalues of a very large or infinite tridiagonal matrix H is studied. Those eigenvalues of a comparison-matrix Mn which are lower than a characteristic limit, together with the corresponding eigenvalues of the variational matrix Hn are shown to bracket exact eigenvalues of H. Mn differs from Hn only in the last off-diagonal element and is easily obtained from H. Sufficient conditions for lower bounds are based on a low estimate of the characteristic limit. For increasing dimensions n, the lower bounds approach the exact eigenvalues from below. As a numerical illustration, brackets to the known eigenvalues of the harmonic oscillator with a linear perturbation are calculated.
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  • 48
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    International Journal of Quantum Chemistry 4 (1970), S. 271-287 
    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: Using the criterion for maximizing the projection of localized bond orbitals onto the space spanned by the occupied MO's, a method for constructing hybrid orbitals of a molecule is described. For illustration purposes the method is applied to single-determinant closed shell wave functions, calculated by means of ab initio and semiempirical procedures, for the molecules of methane, acetylene, ethylene, ethane, propylene, butadiene, ammonia and hydrogen cyanide. The predictions of hybridization are briefly discussed.
    Additional Material: 6 Tab.
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  • 49
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    International Journal of Quantum Chemistry 4 (1970), S. 347-353 
    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 charge on each atom of some ethers and chloro-substituted ethers, their dipole moments and the quadrupole coupling constants of the chloroethers have been calculated with the method suggested by Del Re. There appears to be an intimate connection between the charge density on the oxygen atoms and the capacity of forming hydrogen bond.
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  • 50
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    International Journal of Quantum Chemistry 4 (1970), S. 5-20 
    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 paper the minimum principle proposed for atomic systems by Hall, Hyslop and Rees [1] is generalized to molecules. It is shown that this generalization retains the advantage of admitting the use of a larger class of trial wave functions, for example those with discontinuities, than is possible in the usual minimum energy principle. The further advantage that the upper bounds obtained by this treatment are always at least as good as those of the Rayleigh-Ritz method is also preserved.The theory is applied to the H2+ ion, potential energy curves are obtained for various “cut-off” wave functions, and the equilibrium internuclear distance is calculated. The optimization of the “cut-off” region so that the upper bound is minimized is also discussed.
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  • 51
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    International Journal of Quantum Chemistry 4 (1970), S. 413-425 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fifth-rank molecular polarization tensors are discussed in terms of their tensor group which includes both the spatial symmetry and the permutation symmetry of the suffixes. This latter may be described by certain four-dimensional point groups, which in the nontotally symmetric cases may be projected into three-dimensional space. The study leads to a determination of the number of independent components of these tensors and a discussion of the types of phenomena which they may be expected to produce.
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  • 52
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    International Journal of Quantum Chemistry 4 (1970), S. 541-543 
    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: 3 Tab.
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  • 53
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Z-expansion of two-electron systems is analyzed with the Padé technique with emphasis on establishing analytical properties of the function E(Z) formally associated with the power series expansion. The concept of critical point in this connection is stressed. For this sequence it occurs at Zc = 0.911246 with E(Zc) = -0.415184. The structure of E(Z) for Z 〈 Zc is investigated.The use of Padé approximants to extrapolate values of electron affinities is emphasized.
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  • 54
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    International Journal of Quantum Chemistry 4 (1970), S. 613-623 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Schrödinger equation for helium is written as a generalized eigenvalue equation and this is solved perturbatively for the ground state. The zero order equation is taken to be that of a “six-dimensional hydrogen atom” since, in generalized eigenvalue form, this has a discrete spectrum. Although the zero-order wave function is very poor and gives only 86% of the energy the perturbation procedure is able to improve this to 99% through third-order.
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  • 55
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 56
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    International Journal of Quantum Chemistry 4 (1970), S. 289-295 
    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 Hartree-Fock equations are derived in the MO-LCAO approximation for the case when the integrals (except overlap integrals) over the atomic orbitals are charge-dependent. It is shown that inclusion of the overlap matrix in the iterative procedure gives equations which are too complicated for the simple model under consideration. The approach is applied to the VESCF method in the PPP scheme.
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  • 57
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    International Journal of Quantum Chemistry 4 (1970), S. 337-339 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    International Journal of Quantum Chemistry 4 (1970) 
    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
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  • 59
    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 multi-configuration LCAO-MO approach using a π-bond order-bond length linear relation is introduced to predict the geometrical structures for the electronic ground and excited states of unsaturated hydrocarbons. The procedure is designed to include configuration interaction in each iterative computation where the π-electron approximation is employed under the Pariser-Parr type semi-empirical treatment.The π-bond order-bond length relation is determined as rpq = 1.523 - 0.193Ppq, when the bond lengths of ethylene, benzene and naphthalene are used and the groundstate functions including the singly and doubly excited configurations are taken into account to obtain the bond orders Ppq.The iterative calculation is applied to the ground state and the two lowest excited states of the benzene anion in both D6h and D2h molecular geometries. The geometrical structures and the π-electron energies are computed for the ground and excited states of the anion; for the latter, two types of configuration species are used. It is found that the first lowest excited state is not subjected to the Jahn-Teller effect and the calculated excited state energies do not agree with the observed values (c. 1.0 ∼ 2.5 eV higher than the observed values). The latter point is discussed in detail. It is also found that the resultant ground state energy depression due to configuration mixing is not very large and the two types of configuration species used give different CI effects on the energy levels of the two lowest excited states of the anion.Finally, the stabilization energy due to the Jahn-Teller distortion is estimated for the ground state of the anion.
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  • 60
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    International Journal of Quantum Chemistry 4 (1970), S. 333-335 
    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 extended method of calculation has been applied to calculate the inter-level differences of the shell of 3d-electrons in the iron group atomic system. The hydrogen-like radial orbitals have been used. The results are compared with those obtained by ordinary methods of calculation as well as with experimental data.
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  • 61
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    International Journal of Quantum Chemistry 4 (1970), S. 355-363 
    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 method for the approximate calculation of matrix elements with respect to projected Hartree-Fock wave functions is proposed. The method is tested on some calculations in the many-parameter AMO method. It is found that the approximation reduces the amount of work, involved in the evaluation of the energy, by a factor of five and that it reproduces the exact values to within a few per cent.
    Additional Material: 3 Tab.
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  • 62
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    International Journal of Quantum Chemistry 4 (1970), S. 397-411 
    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 describe the correlation diagram of a linear crystal, in the traditional framework of the vibronic coupling. All lattice normal modes, except the symmetrical mode, are coupled to the excitation transfer. We therefore propose an iterative method, where every mode “sees” an effective coupling arising from the interaction of the other modes with the electronic excitation. This method is applied to a simple case (the pentamer) and the results are compared with the exact solution. In the weak coupling case this procedure gives the vibronic band structure and in the strong coupling case, the electronic band accompanied by vibrational excitations. These results show that the method employed represents an interpolation approach.
    Additional Material: 4 Ill.
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  • 63
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    International Journal of Quantum Chemistry 4 (1970), S. 487-501 
    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: Wave functions expressed as antisymmetrized products of strongly orthogonal geminals have been evaluated for H2O, NH3 and CH4. The geminals have been expressed as linear combinations of 2 × 2 detors constructed with localized SCF-MO's. Several ground state observables have been computed together with the electric polarizabilities and magnetic susceptibilities. In addition, a configuration interaction calculation limited to all possible double group excitations has been carried out.
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  • 64
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    International Journal of Quantum Chemistry 4 (1970), S. 545-559 
    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: Successive partitioning technique, when based on a modified bordering method for solving a system of linear equations and a relation for the inverse of a partitioned matrix leads to Feenberg's perturbation theory. This sheds light on the properties of the expansion, its bracketing properties and the nature of the “counting operators” used sometimes in this connection.
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  • 65
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    International Journal of Quantum Chemistry 4 (1970), S. 603-612 
    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 Li2 molecule is treated both with the method of moments and with the method of energy variation for the following distances of the nuclei R = 2aH, 4aH, 6aH, 8aH and 10aH. The calculations have been performed with the Hartree-Fock method (HF) and with the method of pseudo-potentials (PSP). The results show that the HF method and PSP method lead practically to the same result. This may be important in the treatment of more complicated molecules.
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  • 66
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    International Journal of Quantum Chemistry 4 (1970), S. 123-124 
    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
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  • 67
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    International Journal of Quantum Chemistry 4 (1970) 
    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
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  • 68
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    International Journal of Quantum Chemistry 4 (1970), S. 139-147 
    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 an earlier paper (Bibliography [1]) it has been shown that approximate representations of excited states of atoms can be obtained from the study of the singularities in the dynamic polarizability. Starting with these wave functions a more accurate calculation of the excited states in the Hartree-Fock scheme can be made by a perturbation treatment. The resulting wave functions yield significantly improved energy values. The 21P, 31P and 41P states of the He sequence up to C4+ are studied. The expectation values of a number of operators are calculated. The results obtained by the present method compare favourably with other elaborate calculations.
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  • 69
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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  • 70
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    International Journal of Quantum Chemistry 4 (1970), S. 203-215 
    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 molecular orbital calculations of the electronic structure of the sulphate ion have been performed in which three Gaussian-type functions are used to simulate each member of a minimal basis of Slater-type orbitals. Comparative calculations on H2S show that such a basis excellently reproduces the properties of the valence electrons given by calculations in a Slater basis. The expansion of the basis by the addition of sulphur 3d orbitals results in a large decrease in the molecular energy (1 a.u.) and has a pronounced effect on the ordering and energy of the molecular orbitals. The results of a number of semiempirical schemes are discussed in the light of these results.
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  • 71
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    International Journal of Quantum Chemistry 4 (1970), S. 297-313 
    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 practical method for finding multi-configurational SCF wave functions is proposed. The basic equation is equivalent to the Brillouin theorem; comparison with the usual SCF equations obtained through effective hamiltonians gives an interpretation of the offdiagonal Lagrange multipliers. Numerical applications to Formaldehyde in a minimum Slater-type orbital basis with four different variational wave functions are reported. The molecular orbitals found in these calculations are localized on the chemical bonds. The largest contributions to the energy are obtained from π-π and dispersion-type σ-π correlation.
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  • 72
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    International Journal of Quantum Chemistry 4 (1970), S. 341-341 
    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
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  • 73
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    International Journal of Quantum Chemistry 4 (1970), S. 341-342 
    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
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  • 74
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    International Journal of Quantum Chemistry 4 (1970), S. 223-243 
    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 large configuration-interaction calculation has been performed to determine the wave function, energy, and molecular properties of CO. The most important configurations were used to obtain the natural geminals and their occupation numbers. A pair-energy approach to the correlation energy was attempted with results which differ significantly from the configuration-interaction results.
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  • 75
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    International Journal of Quantum Chemistry 4 (1970), S. 561-570 
    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 pointed out that if a many-electron antisymmetric wave function is expanded as a sum of spin-product functions, each multiplied by a function of coordinates, the resulting functions of coordinates have many of the same useful features found with the symmetric and antisymmetric functions representing singlet and triplet states in a two-electron system. For finding the energy, or any function of coordinates only, in the approximation in which spin-orbit interaction is neglected, one such function of coordinates can be used, the spins being disregarded. Simple procedures allow one to find matrix components of such operators as S2 and L . S from the functions of coordinates. These procedures are much easier to visualize than the use of projection operators, the permutation group, or other methods in current use. The general procedures are illustrated by application to the three-electron problem of the lithium atom, as treated by Lunell, Kaldor, and Harris, and their application to the contact hyperfine structure is pointed out.
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  • 76
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    International Journal of Quantum Chemistry 4 (1970), S. 587-602 
    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: Propagator or Green's function methods are used to analyze the time-dependent Hartree-Fock model. The non-hermitian matrix problem for the time-dependent Hartree-Fock solution is reduced to a problem related only to hermitian matrices. Particular attention is given to the calculation of oscillator strength in different approximations. The connection between the stability of the Hartree-Fock solution and the solution of the time-dependent Hartree-Fock problem is demonstrated. The results of numerical calculations are given for aniline, azulene and pyridine.
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  • 77
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A group-theoretical method for determining the permitted states of polyatomic molecules, proceeding from given atomic states in which the spin-orbit interaction has been taken into account, is proposed.
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  • 78
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    International Journal of Quantum Chemistry 4 (1970), S. 127-138 
    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: Self-consistent pseudo-eigenvalue equations are explicitly derived for the iterative extended Hückel method with use of the minimum-energy criterion. It is shown that inclusion of the overlap matrix in the iterative procedure gives equations that are too complicated for the simple model under consideration. An expression for the total energy is derived, and it is shown that if the eigenvalues of the pseudo-eigenvalue equations are interpreted as ionization potentials and electron affinities, then the empirical parameters of the Hamiltonian matrix must be reinterpreted. The connection with the Hartree-Fock equations is mentioned. It is proposed that minimizing the energy in the VESCF method should be done in a manner similar to the one used in the iterative Hückel methods. Numerical applications to benzene and pyridine have been made.
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  • 79
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    International Journal of Quantum Chemistry 4 (1970), S. 191-202 
    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: SCGF calculations are reported for the ground state of ethylene, formaldehyde, acetylene and hydrogen cyanide. A minimum basis of contracted Gaussians was used and optimum hybridization was determined for each of the molecules by systematic variation of the hybridization parameters until the total electronic energy was a minimum. Properties of CH bonds as well as CC, CO and CN σ and π bonds are discussed in some detail. The results show that the assumption of transferable framework integrals β, basic to all semiempirical methods of calculating molecular wave functions, is strictly justified within the SCGF method.
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  • 80
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    International Journal of Quantum Chemistry 4 (1970) 
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 81
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    International Journal of Quantum Chemistry 4 (1970), S. 315-332 
    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 energy bands of sodium have been calculated by the augmented-plane wave method and carried to self-consistency for both a non-spin-dependent and spin-dependent potential. The results are compared with those of previous calculations and with experimental data. It was found that the energy gaps introduced by the spin-dependent potential remained when the calculations were carried to self-consistency. Analysis of the present results involved comparison of the spin-dependent method with Löwdin's Alternant Molecular Orbital method and with Overhauser's Spin-Density-Wave model, and an analogy is drawn between the spin-dependent calculation and spin-polarized atomic calculations. By calculating the total energies as a functional of the self-consistent charge desity, it was determined that the spin-polarized crystal state had a lower energy than the state obtained from the non-spin-dependent potential. The approximations used in the calculations are discussed.
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  • 82
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    International Journal of Quantum Chemistry 4 (1970), S. 342-345 
    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 Tab.
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  • 83
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    International Journal for Numerical Methods in Engineering 2 (1970) 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 84
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 3-3 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 85
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 2-2 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 86
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 5-32 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The program given here assembles and solves symmetric positive-definite equations as met in finite element applications. The technique is more involved than the standard band-matrix algorithms, but it is more efficient in the important case when two-dimensional or three-dimensional elements have other than corner nodes. Artifices are included to improve efficiency when there are many right hand sides, as in automated design. The organization of the program is described with reference to diagrams, full notation, specimen input data and supplementary comments on the ASA FORTRAN print-out.
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  • 87
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 33-43 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the design of a guyed mast the design specification often imposes limits on the allowable deflection of the mast under wind and other lateral loads. While the deflected form of a mast depends on many different design parameters, the guy erection tensions form one of the simplest means of controlling the lateral displacements. The paper describes a procedure for calculating these tensions in the case of a mast required to have a specified set of displacements under a given set of lateral loads. It also discusses the case where specified deflections are not to be exceeded under a number of different loading conditions.
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  • 88
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 45-59 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper is concerned with the development of a computational algorithm for the solution of the uncoupled, quasi-static boundary value problem for a linear viscoelastic solid undergoing thermal and mechanical deformation. The method evolves from a finite element discretization of a stationary value problem, leading to the solution of a system of linear integral equations determining the motion of the solid. An illustrative example is included.
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  • 89
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 61-71 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The transient field problem of the type encountered in heat conduction problems is formulated in terms of the finite element process using the Galerkin approach. Curved two-dimensional and three-dimensional, isoparametric elements are used in a time-stepping solution and their advantages illustrated by means of several examples.
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  • 90
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    Keywords: Engineering ; Engineering General
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    Notes: The proposed finite element model is based on separate assumptions of interior and interelement displacements and on the assumed boundary tractions of each individual element. The associated variational functional for this model is presented. This method has the same merits of the assumed stress method (References 3 and 4) in that a compatible displacement function at the interelement boundary can be easily constructed, while it can easily be used for shells with distributed loads.
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  • 91
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 117-131 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method for the analysis of field problems is described. The algorithm is based upon the generalized Betti-Maxwell theorem. Using a set of known solutions to problems with similar boundary conditions produces a set of ‘integral’ equations for the required solution. Using any convenient numerical integration formula reduces the problem to the solution of a set of simultaneous algebraic equations. The accuracy of the solution depends upon the accuracy of the integration formula as applied to the problem under consideration and is independent of the known auxiliary solutions. The method is described in detail as applied to harmonic problems.
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  • 92
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 85-98 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Considerable attention has been devoted in the literature on numerical methods towards securing energy convergence of solutions for, say, linearly elastic plate bending problems. Although energy convergence is necessary it by no means follows that the derived bending moments and shearing forces converge uniformly at a given point and it is this kind of feature which the engineer is really seeking.This question is examined in the context of a problem which is of particular interest to the civil engineering field and concerns the bending of a square plate under uniformly distributed load; the plate has simply supported edges and contains a central square hole with free edges. The solution to this multiply connected and mixed boundary value problem is obtained through a recently developed modification to the Rayleigh-Ritz method which has very general application and renders the solution mathematically valid up to the internal corner points where the bending moments are singular. Use is made of triangular equilibrium finite elements in conjunction with continuous eigenfunctions. Although it is already known that the order (i.e. the eigenvalue) of the singularity at the internal corners is available by inspection, it is an interesting feature of the present solution that a good approximation to the amplitude is also obtained by an inspection of the finite element results.
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  • 93
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 99-116 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The convergence rates of eigenvalue solutions using two finite plate bending elements are studied. The elements considered are the well-known 12 degree of freedom, non-conforming rectangular element and the 16 degree of freedom, conforming rectangular element. Three problems are analysed, a square plate simply supported on two opposite sides with the other two sides clamped, simply supported, or free. Closed form, finite element solutions for these problems are obtained by using shifting E-operators.With few exceptions, eigenvalue solutions found with the non-conforming element converge from below the exact answers at an asymptotic rate of n-2, where n is the number of elements on a side. However, since the array size needed for such convergence is very large, little can be said about the convergence rates for practical arrays. The conforming element solutions converge from above at an asymptotic rate of n-4. A comparison of the errors involved in using these two elements shows that the conforming element is far superior to the non-conforming element.
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    International Journal for Numerical Methods in Engineering 2 (1970), S. 145-146 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
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  • 95
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 2 (1970) 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
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  • 96
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 2 (1970), S. 146-147 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
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  • 97
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 2 (1970), S. 133-144 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper presents a labour-saving method of discretizing irregular and inhomogeneous two-dimensional continua into triangular elements. The method uses a magnetic pen to record node point data and a computer program to generate element data. This technique eliminates the tedium in the manual generation of data and the delay due to mistakes which would otherwise arise frequently for a complex mesh.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 98
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 2 (1970), S. 151-157 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite element formulation which includes the piezoelectric or electroelastic effect is given. A strong analogy is exhibited between electric and elastic variables, and a ‘stiffness’ finite element method is deduced. The dynamical matrix equation of electroelasticity is formulated and found to be reducible in form to the well-known equation of structural dynamics, A tetrahedral finite element is presented, implementing the theorem for application to problems of three-dimensional electroelasticity.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 99
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 2 (1970), S. 175-188 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method is presented for the solution of the radially symmetric heat conduction problem in a melting sphere. The method employs the embedding technique; this permits the solution to be written in the form of an ordinary integro-differential equation which is readily solved numerically by means of a forward integration scheme. The accuracy of the method is briefly discussed and numerical results for both constant and variable heat inputs are presented.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
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  • 100
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 2 (1970), S. 159-174 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper is concerned with the development of general discrete models for the analysis of boundary-value problems in the first strain-gradient theory of elasticity. Extensions of the finite element method are constructed for this purpose, and general equations of motion are derived for finite elements of a class of micro-polar materials which are characterized by strain energy functions involving strains and second gradients of strains or displacements. The notion of generalized nodal doublets is introduced. The problem of a composite consisting of a strain-gradient sensitive microlayer embedded between semi-infinite bodies is examined as an example problem. Some of the results are compared with available exact solutions.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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