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  • Atomic, Molecular and Optical Physics  (124)
  • Pancreas
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  • 1970-1974  (65)
  • 1965-1969  (70)
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  • 1
    ISSN: 1432-5233
    Keywords: Diabetes ; Duodenum ; Kidney ; Pancreas ; Rejection ; Transplant
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Il a été mis au point une méthode de laboratoire pour l'allogreffe pancréatico-duodénale chez le chien pancréatectomisé. Les animaux chez lesquels de telles greffes ont été pratiquées ont survecu plusieurs mois, si on les a traités avec azathioprine et prednisone afin de prévenir le rejet. Contrairement à ce que l'on pense généralement, le pancréas n'est pas particulièrement sensible à l'ischémie totale, étant donné qu'il y a été possible de conserverin vitro jusqu'à 24 heures d'allogreffes pancréatico-duodénales, en employant uniquement l'hypothermie et l'hyperbarie. Ces blocs pancréatico-duodénaux conservés ont été en suite allograffés chez des chiens pancréatectomisés, en obtenant la survie des animaux durant de longues périodes. Nous venons de pratiquer une allogreffe pancréatico-duodénale chez des malades avec diabète juvénile et insuffisance rénale. Parmi ces sujets, 9 ont reçu en même temps une allogreffe rénale prélevée du cadavre. Chez tous ces patients, sauf un, le pancréas a fonctionné immédiatement. Cette exception est représentée par un sujet qui a reçu une allogreffe pancréatico-duodénale prélevée du cadavre après avoir subi une ischémie irréversible. Bien que deux patients seulement soient actuellement en vie (maximum depuis onze mois), nous n'avons jamais observé de signes de rejet du pancréas. Dans 7 cas sur 8 la morte était due à complications en rapport avec l'allogreffe rénale de cadavre, tandis que chez un patient seulement l'allogreffe pancréatico-duodénale était la cause du décès. Ce malade est mort sept mois après l'intervention à cause d'une perforation aiguë du duodénum greffé. De ces recherches il résulte évident que l'antigénicité du pancréas est très inférieure à celle du rein et probablement à celle de bien d'autres organes. L'allogreffe pancréatico-duodénale isolée est actuellement projetée pour les diabétiques juvéniles avec néphropathie grave mais non terminale. Si la vasculopathie caractéristique du diabète sera modifiée par une allogreffe de pancréas, cela deviendra alors une procédure de transplantation d'exécution courante.
    Abstract: Resumen Se ha preparado en el ámbito experimental de laboratorio un procedimiento de alotrasplante pancreático-duodenal en perros operados de pancreactomía. Los perros sometidos a trasplante, y tratados después con azatioprina y prednisón para prevenir el rechazo, sobrevivieron durante muchos meses. Al revés de lo que habitualmente se opina, el pancreas no es particularmente sensible a la isquemia total, puesto que ha sido posible conservarin vitro hasta 24 horas un alotrasplante pancreático-duodenal empleando solamente la hipotermia y hiperbaria. Esos bloques pancreático-duodenales conservados, han sido después alotrasplantados en perros operados de pancreactomía consiguiendo la supervivencia de los perros durante largos periodos de tiempo. Hemos efectuado también un alotrasplante pancreático-duodenal en diez pacientes con diabetes juvenil e insuficiencia renal. Nueve de esos pacientes recibieron simultaneamente un alotrasplante renal extraido del mismo cadáver. En todos estos pacientes, menos en uno, el pancreas ha funcionado inmediatamente. La mencionada excepción la constituye un paciente que recibió un alotrasplante pancreático-duodenal procedente de un cadáver, después de haber sufrido una isquemia irreversible. Aunque solamente dos de los mencionados pacientes sigan con vida, todo lo más a los once meses, en ningún caso hemos advertido indicios de rechazo del pancreas. En siete casos de cada ocho la muerte se debió a complicaciones relacionadas con el alotrasplante renal de cadáver y sólo en uno la causa de la muerte se debió al alotrasplante pancreático-duodenal por una perforación aguda del duodeno trasplantado. De estas investigaciones se deduce con evidencia que la antigenicidad del páncreas es mucho menor que la del riñón y probablemente menor también que la de otros órganos. En la actualidad se proyecta el solo alotrasplante pancreático-duodenal para diabéticos juveniles, con nefropatía grave pero no terminal. Si la vasculopatía característica de la diabetes mellitus será modificada por el alotrasplante pancréatico, este último se convertirá en uno de los procedimientos de trasplante de ejecución más común.
    Notes: Riassunto È stato messo a punto in laboratorio un procedimento per l'allotrapianto pancreatico-duodenale nel cane pancreatectomizzato. I cani nei quali sono stati praticati questi trapianti sono sopravvissuti per molti mesi, se trattati con azatioprina e prednisone per prevenire il rigetto. Contrariamente a quanto abitualmente si ritiene, il pancreas non è particolarmente sensibile all'ischemia totale, dato che è stato possibile conservarein vitro fino a 24 ore un allotrapianto pancreatico-duodenale impiegando solamente l'ipotermia e l'iperbaria. Questi blocchi pancreatico-duodenali conservati sono stati poi allotrapiantati in cani pancreatectomizzati, ottenendo la sopravvivenza degli animali per lunghi periodi di tempo. Finora abbiamo effettuato allotrapianti pancreatico-duodenali in dieci pazienti con diabete giovanile ed insufficienza renale. Nove di questi pazienti hanno ricevuto contemporaneamente un allotrapianto renale prelevato dal medesimo cadavere. In tutti questi pazienti, tranne in uno, il pancreas ha funzionato immediatamente. Questa eccezione è rappresentata da un paziente che ricevette un allotrapianto pancreatico-duodenale da cadavere dopo aver subìto una ischemia irreversibile. Sebbene soltanto due pazienti siano attualmente in vita — uno da undici mesi —, in nessun caso abbiamo riscontrato segni di rigetto del pancreas. In sette casi su otto la morte era dovuta a complicazioni legate all'allotrapianto renale di cadavere, mentre in un paziente soltanto l'allotrapianto pancreatico-duodenale era la causa del decesso. Questo paziente morì, sette mesi dopo l'allotrapianto pancreatico-duodenale, per perforazione acuta del duodeno trapiantato. Risulta evidente da queste ricerche che l'antigenicità del pancreas è di gran lunga minore di quella del rene e, probabilmente, anche di altri organi. Il solo allotrapianto pancreatico-duodenale viene ora progettato per pazienti con diabete giovanile e nefropatia grave non in stadio terminale. Se la caratteristica vasculopatia del diabete mellito risulterà modificata per effetto dell'allotrapianto pancreatico, questo diverrà allora uno dei procedimenti di trapianto di più comune esecuzione.
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  • 2
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    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.
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  • 3
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    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.
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  • 4
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    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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  • 5
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    New York, NY : Wiley-Blackwell
    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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  • 6
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    New York, NY : Wiley-Blackwell
    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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  • 7
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    New York, NY : Wiley-Blackwell
    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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  • 8
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    New York, NY : Wiley-Blackwell
    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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  • 9
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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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  • 10
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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.
    Additional Material: 6 Tab.
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  • 11
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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.
    Additional Material: 1 Tab.
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  • 12
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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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  • 13
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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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  • 14
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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.
    Additional Material: 5 Tab.
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  • 15
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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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  • 16
    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.
    Additional Material: 2 Ill.
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  • 17
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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.
    Additional Material: 1 Tab.
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  • 18
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    International Journal of Quantum Chemistry 4 (1970), S. 219-221 
    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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  • 19
    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 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.
    Additional Material: 2 Tab.
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  • 20
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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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  • 21
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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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  • 22
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An 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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  • 23
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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.
    Additional Material: 3 Tab.
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  • 24
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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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  • 25
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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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  • 26
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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.
    Additional Material: 9 Tab.
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  • 27
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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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  • 28
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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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  • 29
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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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  • 30
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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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  • 31
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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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  • 32
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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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  • 33
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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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  • 34
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    International Journal of Quantum Chemistry 4 (1970), S. 413-425 
    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: 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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  • 35
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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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  • 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: 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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  • 37
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    International Journal of Quantum Chemistry 4 (1970), S. 613-623 
    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 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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  • 38
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 39
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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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  • 40
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    International Journal of Quantum Chemistry 4 (1970), S. 337-339 
    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.
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  • 41
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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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  • 42
    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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  • 43
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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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  • 44
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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.
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  • 45
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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.
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  • 46
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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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  • 47
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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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  • 48
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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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  • 49
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    International Journal of Quantum Chemistry 4 (1970), S. 123-124 
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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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  • 50
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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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  • 51
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    International Journal of Quantum Chemistry 4 (1970), S. 139-147 
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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: 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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  • 52
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
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    Additional Material: 1 Tab.
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  • 53
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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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  • 54
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    International Journal of Quantum Chemistry 4 (1970), S. 297-313 
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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 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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  • 55
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    International Journal of Quantum Chemistry 4 (1970), S. 341-341 
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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. 341-342 
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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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  • 57
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    International Journal of Quantum Chemistry 4 (1970), S. 223-243 
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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 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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  • 58
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    International Journal of Quantum Chemistry 4 (1970), S. 561-570 
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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: 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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  • 59
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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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  • 60
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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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  • 61
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    International Journal of Quantum Chemistry 4 (1970), S. 127-138 
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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: 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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  • 62
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    International Journal of Quantum Chemistry 4 (1970), S. 191-202 
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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: 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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  • 63
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    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
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    Topics: Chemistry and Pharmacology
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  • 64
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    International Journal of Quantum Chemistry 4 (1970), S. 315-332 
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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 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.
    Additional Material: 3 Ill.
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  • 65
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    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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  • 66
    Electronic Resource
    Electronic Resource
    Springer
    Diabetologia 3 (1967), S. 74-84 
    ISSN: 1432-0428
    Keywords: Spontaneous diabetes ; Chinese Hamster ; Cricetulus griseus ; Insulin in Plasma ; Insulin in pancreas ; Pancreas ; Free fatty acids ; Detection of diabetes ; Muscle metabolism ; Adipose tissue metabolism ; Liver glycogen
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Nous avons dépisté le diabète chez le hamster chinois par des dosages qualitatifs de la glucosurie. Nous avons ensuite caractérisé chaque cas par la mesure quantitative du glucose urinaire, par des surcharges au glucose et par le dosage de la glycémie à jeun et non à jeun, des corps cétoniques, des acides gras libres (AGL) plasmatiques, de l'insuline plasmatique et pancréatique, et des taux hépatiques de glycogène. En outre, nous avons mesuré l'utilisation du glucose par le diaphragme et le tissu adipeux épididymaire, avec et sans stimulation par l'insuline. Les animaux nécessitant l'administration d'insuline ont reçu leur dernière injection au moins 24 heures avant chaque étude. Les taux de glucose dans l'urine ont varié entre 51 et 1600 mg par 24 heures. Le test de surcharge au glucose s'est révélé nettement anormal chez les animaux diabétiques, la surcharge étant de 250 mg de glucose par kg de poids. Chez les diabétiques, la glycémie après surcharge est fortement variable, contrairement à l'uniformité de la réponse observée chez les non-diabétiques. Le glycogène hépatique à jeun est de 3, 1±1,0% pour les diabétiques, et de 0,4±0,7% de poids frais d'organes pour les non-diabétiques. Les taux plasmatiques des AGL et des corps cétoniques sont manifestement élevés chez les hamsters chinois diabétiques et cétosiques alors que le contenu en insuline du plasma et du pancréas est abaissé de façon marquée. Ceci n'a pas été observé chez les diabétiques moins sévères qui se rapprochent des non-diabétiques. Les AGL plasmatiques sont élevés chez tous les hamsters chinois (moyenne pour les non-diabétiques 1800μE/l, pour les diabétiques sévères 2800μE/l) Les taux d'AGL sont les mêmes à jeun et non à jeun chez les animaux non-diabétiques ou souffrant d'un diabète léger. L'utilisation du glucose par le muscle et le tissu adipeux du hamster diabétique ne diffère pas significativement de celle des tissus non-diabétiques et leur stimulation par l'insuline est semblable. L'insuline immunoréactive des hamsters traités à l'insuline reste élevée dans le plasma pendant plus de 26 jours après la dernière injection. — Ces observations semblent indiquer que le pancréas des hamsters chinois diabétiques sécrète plus difficilement de l'insuline en réponse à une stimulation par le glucose. Les taux normaux d'insuline plasmatique chez les hamsters avec un diabète léger, mais présentant pourtant une nette glucosurie, une hyperglycémie et une réponse anormale à la surcharge en glucose, suggèrent l'existence d'une interférence avec l'action normale de l'insuline et peut-être une augmentation de la production de glucose par le foie.
    Abstract: Zusammenfassung Beim chinesischen Hamster wurde der Diabetes durch qualitative Urinuntersuchungen auf Glucose aufgespürt. Es wurde dann jeder Fall näher charakterisiert durch quantitative Uringlucosebestimmungen, Glucosebelastungsproben und Messungen von Nüchtern- und Nichtnüchternwerten für Blutzucker, Blutketonkörper, freie Fettsäuren (FFS) und Insulin im Plasma, von Insulin im Pankreas, und von Nüchternwerten für Leberglykogen. Außerdem wurde der Glucoseverbrauch des Zwerchfells und des epididymalen Fettgewebes sowie mit, als auch ohne Insulin gemessen. Diejenigen Tiere, die Insulin erforderten, erhielten ihre letzte Injektion 24 Stunden vor dem Versuch. Glucosurie schwankte zwischen 51 und 1600 mg/24 Std. Bei einer Belastung von 250 mg/kg wiesen die diabetischen Tiere eine wesentlich verminderte Glucosetoleranz auf. Sie sprachen sehr unterschiedlich auf die Glucosebelastung an, während die nichtdiabetischen Tiere in ihrer Reaktion einheitlich waren. — Im Vergleich zu den nichtdiabetischen Hamstern, wo die Mittelwerte für Nüchternleberglykogen bei 0.4±0.7 Prozent des Frischlebergewichtes lagen, hatten die diabetischen Tiere einen Glykogengehalt der Leber von 3.1±1.0 Prozent. — Chinesische Hamster mit schwerem Diabetes haben deutlich erhöhte FFS-Werte und Ketonkörper, sowie einen wesentlich niedrigeren Plasma- und Pankreasinsulinspiegel. Bei Tieren mit leichter Diabetes hingegen sind diese Untersuchungen, im Vergleich zu den Kontrolltieren, unverändert. Alle chinesischen Hamster haben hohe Plasma-FFS-Werte (nichtdiabetische 1800μE/L, schwer diabetische 2800μE/L). Nüchtern- und Nichtnüchternwerte für FSS sind beim leicht diabetischen oder gesunden Tier etwa gleich hoch. Der Glucoseabbau durch Muskel- und Fettgewebe des diabetischen und nichtdiabetischen Hamsters unterscheidet sich nicht sehr, und beide Gruppen sprechen ungefähr gleich stark auf Insulinstimulierung an. Das im Plasma der insulinbehandelten Tiere vorkommende immunreaktive Insulin ist noch 26 Tage nach der letzten Injektion nachweisbar. — Diese Ergebnisse lassen vermuten, daß der Pankreas des diabetischen Hamsters nur schwerlich in der Lage ist, nach einer Glucosestimulierung Insulin auszuschütten. Die Beobachtung, daß der Plasma-Insulinspiegel im leichten Diabetes normal ist, diese Tiere jedoch Glucosurie, Hyperglykämie und abnormale Glucosetoleranz aufweisen, führt zu der Annahme, daß ein leichter Diabetes beim chinesischen Hamster eine Beeinträchtigung der Insulinwirkung mit sich bringen, und Ursache einer vermehrten Glucoseproduktion durch die Leber sein kann.
    Notes: Summary Diabetes in Chinese hamster was initially detected by qualitative tests for urine glucose. The disease was characterized by quantitating urine glucose, glucose tolerance tests and measurement of fasting and nonfasting blood sugar, blood ketones, plasma free fatty acids (FFA), plasma insulin, pancreatic insulin and fasting levels of liver glycogen. In addition, basal levels of glucose utilization by diaphragms and epididymal adipose tissue and the response of these tissues to insulin was measured. Those animals requiring insulin received their last injection 24 hours prior to study. Glucosuria varied from 51 to 1600 mg/24 hours. Diabetics had significantly decreased tolerance to a 250 mg/kg glucose load. The response varied considerably in diabetics but was uniform in the nondiabetics. Diabetics had mean fasting liver glycogen levels of 3.1±1.0 compared with 0.4± 0.7 percent of fresh liver weight for nondiabetics. Severely ketotic, diabetic Chinese hamsters had significantly elevated FFA and ketone levels and significantly lower plasma and pancreatic insulin levels but mild diabetics did not differ from controls with respect to these parameters. All Chinese hamsters had high plasma FFA levels (nondiabetics 1800μE/l, severe diabetics 2800μE/l. Fasting and nonfasting FFA levels did not differ in mild diabetic and nondiabetic animals. Muscle and adipose tissues from diabetic hamsters had basal rates similar to nondiabetics and had similar responses to insulin. Hamsters maintained on insulin had greatly elevated immunoreactive insulin levels in their plasma, which persisted for 26 days. — The data suggest that severely diabetic hamsters may have a decreased ability of the pancreas to secrete insulin in response to a glucose stimulus. The observations that plasma insulin levels are normal in mild diabetics but that these animals have glucosuria, hyperglycemia and abnormal glucose tolerance suggest that mild diabetes in the Chinese hamster may involve interference with insulin action and/or increased hepatic glucose output.
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  • 67
    ISSN: 1432-0428
    Keywords: Spontaneous Diabetes ; Spiny mice ; Acomys cahirinus ; Obesity ; Pancreas ; Ultrastructure ; Beta cells ; Insulin in pancreas ; Glycogen ; Islets of Langerhans ; Endo-exocrine cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé L'Acomys Cahirinus ou souris à piquants est un rongeur vivant dans les régions semi-désertiques de l'est de la Méditerranée. La découverte d'un diabète spontané chez certains de ces animaux a fait entreprendre l'élevage d'une colonie dans laquelle ce syndrome s'est maintenu jusqu'à maintenant. Il atteint environ 15% des animaux, qu'ils soient obèses ou non. Il apparaît sur un terrain insulaire très particulier puisque le pancréas endocrine montre une hyperplasie très importante jusqu'à constituer 15% du pancréas total. Cette hyperplasie existe chez tous les animaux, hyperglycémiques ou non. — L'étude au microscope électronique est encore trop incomplète pour une analyse corrélative détaillée entre les données métaboliques et morphologiques. Elle permet toutefois de décrire les différentes structures cellulaires de l'Acomys ainsi que leurs modifications dans les conditions pathologiques. Les changements du complexe de Golgi et des mitochondries et certains aspects plus pathologiques,comme l'accumulation de glycogène, sont décrits ainsi que des images plus particulières à l'Acomys, telles les confluences de vésicules et les cellules hypergranulées. — L'extrême hyperplasie du pancréas endocrine de la souris à piquants s'accompagne à son niveau d'un grand polymorphisme cellulaire. Les différentes cellules ainsi observées sont interprétées comme des aspects de différents moments physiologiques et non comme des types cellulaires particuliers. Ces données font conclure à la non-existence d'autres entités cellulaires que les cellules A, B et éventuellement D. Un aspect particulièrement intéressant de la souris à piquants est celui dela présence de cellules mixtes. Cette image est discutée dans le cadre très particulier du syndrome diabétique observé chez l'Acomys.
    Abstract: Zusammenfassung Acomys cahirinus, die Stachelmaus, ist ein kleines Nagetier, das in den an die Wüste grenzenden Gegenden des östlichen Mittelmeerraumes lebt. Da in dieser Tierart Spontandiabetes auftritt, zumindest in Laboratoriumszucht, halten wir dieses Tier am Institut de Biochimie Clinique seit etwas mehr als drei Jahren. Diabetes mellitus tritt bei ungefähr 15% der Tiere die ein Jahr alt werden ein; einige davon sind fettsüchtig, nicht aber alle. Diabetes erscheint trotz einer sehr stark entwickelten Hyperplasie der Langerhans'schen Inseln, die bis zu 15% des erwachsenen Organs ausmachen können! Diese Hyperplasie ist bei allen Tieren zu sehen, unabhängig davon ob eine diabetische Stoffwechselstörung vorliegt oder nicht. Mit dem Elektronenmikroskop haben wir die Langerhans'schen Inseln von 22 Stachelmäusen untersucht und berichten hier über die verschiedenen beobachteten Zelltypen, zu verschiedenen Zeitpunkten der Entwicklung der diabetischen Stoffwechselstörungen. Befunde an den B-Zellen dieser Tierart betreffen die hochgradige Entwicklung des Golgi Apparates, die große Unterschiedlichkeit und manchmal extreme Glycogen-Ablagerung in diabetischen Tieren, die häufige Verschmelzung der Membranen der Granula, und das Auftreten von ganz übermäßig hypergranulierten Zellen. — Die Hyperplasie der Langerhans'schen Inseln in Stachelmäusen geht mit einem betrachtenswerten zellulären Polymorphismus einher. Die Autoren sind jedoch nicht der Meinung, daß diese Befunde auf das Vorhandensein von vielen verschiedenen Zelltypen in diesen Inseln deutet. Es scheint ihnen viel wahrscheinlicher, daß es sich um verschiedene funktionelle Zustände einer kleinen Anzahl von Zelltypen handelt, wobei nur A, B, und vielleicht D Zellen mit Sicherheit als identifiziert gelten können. Ein besonders frappanter Aspekt dieses zellulären Polymorphysmus istdie häufige Beobachtung von gemischten oder Intermediärzellen (exokrin-endokrin sowie auch endokrin A-B). Diese Beobachtung wirft die Frage auf ob die Stimulation, die zu der Hyperplasie des endokrinen Systems in dieser Tierart führt, vielleicht mit einer Verminderung der nuklearen Hemmung, die bei voll differenzierten Zellen die Regel ist, einhergehen könnte.
    Notes: Summary Acomys Cahirinus, the spiny mouse, is a small rodent living in the semi-desertic areas of the Eastern Mediterranean. The observation that diabetes may occur spontaneously in this species, at least under laboratory conditions, has led to its breeding at the Institut de Biochimie Clinique, where a colony has been maintained over the last 3 years. Diabetes occurs in approximately 15% of the animals reaching one year of age; some of these are obese, but not all. Diabetes occurs in the presence of, and despite a striking hyperplasia of the endocrine pancreas, which may make up as much as 15% of the total organ in adult mice. This hyperplasia is present in all animals, whether hyperglycemic or not. — The islets of Langerhans of 22 spiny mice have been examined with the electron microscope and form the basis for an analysis of the different cell types observed, at different times relative to the onset of diabetes. Findings in the B cells of this species have included the generally high degree of development of the Golgi complex, the great variability of glycogen accumulation in diabetic animals, the frequent fusion of the granular sacs, and the occurrence of grossly hyper-granulated cells. — The hyperplasia of the islets of Langerhans in spiny mice is associated with a remarkable cellular polymorphism. However, the authors do not feel that this is the result of the presence in these islets of many distinct cell types. It would seem much more likely, that they represent different functional states of a small number of distinct types of cells, among which only A, B and perhaps D cells have been securely identified. Another feature of this cellular polymorphism is thefrequent presence of mixed or intermediate cells (exocrine-endocrine, or endocrine A-B), which suggests that the stimulation leading to hyperplasia of the endocrine cells in this species might result in the removal of some part of the nuclear inhibition usually associated with fully differentiated cells.
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  • 68
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    Springer
    Diabetologia 3 (1967), S. 238-248 
    ISSN: 1432-0428
    Keywords: Spontaneous Diabetes ; Genotype: C57BL/K5-db ; Diabetes in mice ; Mutation: diabetes ; Obesity ; Prediabetes ; Insulin in plasma ; Insulin in pancreas ; Islets of Langerhans ; Pancreas ; Insulin resistance ; Glucose utilization ; Gluconeogenesis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé La mutation, diabète (db), a été observée dans la souche de souris C57BL/Ks. C'est un gène autosomal récessif avec pénétrance complète, et qui mène chez les homozygotes à un trouble métabolique ressemblant au diabète sucré chez l'homme. Une accumulation excessive de graisses se produit à l'âge de 3–4 semaines et est bientôt suivie par l'apparition d'hyperglycémie, de polyurie et de glucosurie. L'évolution clinique suit ensuite deux étapes. Durant la première, les taux d'insuline plasmatique sont élevés et la lipogénèse, la gluconéogénèse, ainsi que l'oxydation du glucose sont accélérées; il y a diminution de la granulation des cellulesβ et d'autres altérations suggérant l'existence d'une compensation d'un état nécessitant une utilisation insulinique accrue. La deuxième étape, par contre, est caractérisée par des taux normaux d'insuline plasmatique, avec diminution marquée de l'utilisation du glucose malgré la persistance d'une gluconéogénèse nettement exagérée. Ces observations nous semblent indiquer l'existence d'une utilisation défectueuse de l'insuline à la périphérie, plutôt qu'une anomalie primaire de la synthèse ou de la libération de l'hormone au niveau du pancréas.
    Abstract: Zusammenfassung Die Mutation Diabetes (db), die in dem Mäusestamm C57BL/Ks auftritt, ist ein autosomales rezessives Gen mit voller Penetranz und verursacht bei homzygoten Mäusen eine dem im Menschen auftretenden Diabetes mellitus ähnliche Stoffwechselstörung: übermäßige Ablagerung von Fett im Alter von 3–4 Wochen, mit anschließender Hyperglykämie, Polyurie und Glucosurie. Der klinische Verlauf erfolgt dann in zwei Phasen. In der ersten Phase ist ein wesentlicher Anstieg der Plasmainsulinwerte im Vordergrund, mit Beschleunigung von Lipogenese, Gluconeogenese und Glucoseoxydation. Das Abnehmen der Granula in denβ-Zellen der Langerhansschen Inseln und andere Veränderungen deuten auf eine Anpassung an einen steigenden Insulinbedarf. In der zweiten Phase, dagegen, sind die Insulinspiegel eher normal, und der Glucoseverbrauch nimmt ab, bei Weiterbestehen der beschleunigten Gluconeogenese. Diese Ergebnisse deuten eher auf eine mangelhafte periphere Insulinwirkung als auf eine ungenügende Synthese der Ausschüttung des Hormones durch das Pankreas.
    Notes: Summary The mutation, diabetes (db), that occurred in the C57BL/Ks strain of mice is a unit autosomal recessive gene with full penetrance, and causes metabolic disturbances in homozygous mice resembling diabetes mellitus in man. Abnormal deposition of fat at 3 to 4 weeks of age is followed by hyperglycemia, polyuria and glycosuria. The diabetic condition appears to develop in two stages. In the early stage, there are marked increases in the levels of plasma insulin, the rates of lipogenesis, gluconeogenesis, and glucose oxidation, and there is a reduction ofβ-cell granules in the islet of Langerhans with other changes suggestive of a compensating adaptation to increased insulin demand. On the other hand, the late stage is characterized by a near normal level of circulating insulin, a marked decrease in glucose utilization but with a continued high rate of gluconeogenesis. These findings suggest a defect in the peripheral utilization of insulin rather than in the synthesis and release of the hormone from the pancreas.
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  • 69
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    Springer
    Diabetologia 3 (1967), S. 249-265 
    ISSN: 1432-0428
    Keywords: Spontaneous Diabetes ; Dog ; Cat ; Diabetes in dogs and cats ; Pancreas ; Islets of Langerhans ; B cells ; Insulitis ; Hyalin ; Capillaries ; Kidney ; Retina ; Microaneurysms ; Pituitary
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Les auteurs présentent une étude histopathologique de 30 chiens et de 5 chats spontanément diabétiques. — Les îlots de Langerhans et les cellules B étaient fortement diminués en nombre chez la grande majorité des chiens. Les cellules B étaient souvent dégranulées et hydropiques. Chez les chiens dont le diabète avait évolué pendant longtemps, les îlots étaient très rares et les cellules B absentes. — Chez les 5 chats spontanément diabétiques par contre, les îlots et les cellules B étaient nombreuses. Les cellules B étaient dégranulées et hydropiques chez 4 chats. Chez 1 des chats, les cellules B paraissaient normales. De nombreux îlots présentaient des dépôts de substance hyaline dans le stroma. Chez un chat, il existait une infiltration lymphocytaire très dense dans un îlot. — Ni chez les chiens, ni chez les chats, il n'a été vu de lésions glomérulaires identiques à celles de glomérulosclérose diabétique humaine. Les lésions les plus fréquentes consistaient en un épaississement des axes membraneux des touffes glomérulaires et une hypertrophie de la paroi des artérioles afférentes.— Dans les rétines des chiens diabétiques il existait une acellularité focale ou généralisée de la paroi des capillaires. Un petit nombre de microanévrysmes ont été trouvés chez 3 chiens diabétiques. L'incidence plus faible des lésions de rétinopathie vasculaire, comparativement aux diabétiques humains, s'explique probablement par la durée de vie plus courte du chien et du chat. Il est possible aussi que les capillaires rétiniens de ces animaux soient moins susceptibles de développer des lésions dégénératives. — Un degré marqué de stéatose hépatique a été observé chez beaucoup de chiens et de chats. Les surrénales étaient souvent hypertrophiées et contenaient des adénomes, mais ces lésions ne paraissent pas différentes de celles que l'on peut trouver chez des chiens et des chats non diabétiques de même âge. L'hypophyse a été prélevée chez 7 chiens. Dans 2 cas, elle contenait un adénome. Une étude cytologique plus complète des hypophyses sera publiée ultérieurement.
    Abstract: Zusammenfassung Die Autoren berichten über die Ergebnisse von Untersuchungen an 30 spontan-diabetischen Hunden und 5 spontan-diabetischen Katzen. Bei der großen Mehrzahl der diabetischen Hunde war die Zahl der Langerhansschen Inseln und der B-Zellen stark herabgesetzt. Die B-Zellen waren oft degranuliert und hydropisch. Bei Hunden mit schon lang anhaltender Krankheit waren die Inseln nur noch vereinzelt und B-Zellen überhaupt nicht mehr nachweisbar. — Im Gegensatz zu diesen Ergebnissen fanden sich bei allen 5 Katzen zahlreiche Inseln und B-Zellen. Bei 4 dieser Katzen jedoch waren die B-Zellen, wie bei den Hunden, degranuliert und hydropisch entartet. Bei einer Katze war das Aussehen der B-Zellen normal. Im Stroma der Inseln von 2 Katzen konnten starke Hyalinablagerungen nachgewiesen werden. In einem Falle zeigten die Inseln eine starke lymphocytäre Infiltration. — Weder bei den Hunden noch bei den Katzen waren typische Läsionen der Glomeruli, wie sie bei der Glomerulosklerose des menschlichen Diabetes auftreten, nachweisbar. Die häufigsten Veränderungen bestanden aus einer mehr oder weniger ausgeprägten Verdickung des mesangialen Teils der Kapillaren der Glomeruli und aus einer Hypertrophie der Wand der zuführenden Arteriolen. Bei einigen Hunden und Katzen bestanden auf chronische Pyelonephritis zurückführende Narben. — In der Retina der diabetischen Hunde waren zellenlose und funktionslose Kapillaren vorhanden, und degenerierte Pericyten (“ghostcells”) waren häufiger als bei normalen Hunden. In drei Hunden wurden einige Mikroaneurismen beobachtet. Daß diese für die Retinopathie des Diabetes typischen Läsionen beim Hund verhältnismäßig selten auftreten könnte mit der kürzeren Lebensdauer der Krankheit bei diesen Tieren zusammenhängen. Es ist jedoch nicht ausgeschlossen, daß die Retina von Hunden und Katzen weniger zu degenerativen Veränderungen neigt. — In der Leber vieler Hunde und Katzen wurde eine schwere Steatose beobachtet. In vier Hunden zeigte sich beginnende Lebercirrhose. In diabetischen Hunden und Katzen waren die Nebennieren oft hypertrophisch und enthielten Adenome, die allerdings auch bei nichtdiabetischen alternden Hunden beobachtet wurden. In 2 von 7 Hypophysen diabetischer Hunde fanden sich Adenome, über deren cytologische Untersuchung in einer späteren Veröffentlichung berichtet wird.
    Notes: Summary A histological study of 30 spontaneously diabetic dogs and 5 spontaneously diabetic cats is presented. — The islets of Langerhans and the B cells were strongly reduced in number in a large majority of the diabetic dogs. The B cells were often degranulated and hydropic. In cases of longer duration, the islets were scarce and B cells could no longer be found. — In contrast to the findings in diabetic dogs, all five cats showed numerous islets and B cells. However in 4 cats, the B cells showed complete degranulation and hydropic changes, as in the dogs. In one cat, the B cells had a normal appearance. Extensive hyalin deposits were found in the stroma of the islets in 2 cats. In one cat, an islet showed a dense lymphocytic infiltration. — No lesions identical to human diabetic glomerulosclerosis were found in any of the dogs or cats. The changes most frequently observed were a variable degree of thickening of the mesangial stalk of the glomerular capillaries, and an hypertrophy of the wall of the afferent arteriole. Scars resulting from chronic pyelonephritis, were found in a few dogs and cats. — Acellular, non-functional capillaries, with degeneration of pericytes (“ghost-cells”) were found in larger numbers in the retinas of the diabetic dogs than in non-diabetic control dogs. A very few microaneurysms could be found in 3 dogs. The lower incidence of the most typical lesions of diabetic retinopathy in dogs, as compared with the human diabetic, is probably related to the shorter duration of the disease in these animals. However, a lower susceptibility of the retina of dogs and cats to develop degenerative changes cannot be excluded. — A severe steatosis was observed in the liver of many dogs and cats. In 4 dogs, the liver showed early cirrhosis. In diabetic dogs and cats, the adrenal cortex often showed hypertrophy and contained adenomas; however, these changes have also been reported in non-diabetic aging dogs. An adenoma was found in 2 of the 7 pituitaries obtained from diabetic dogs; the cytological aspect of these adenomas and of the pituitaries will be reported in a later publication.
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  • 70
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    Diabetologia 3 (1967), S. 47-49 
    ISSN: 1432-0428
    Keywords: Calcium ; Magnesium ; Insulin ; Secretion Rabbit ; Pancreas ; Foetus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Le glucose, le glucagon, le tolbutamide et la L-leucine stimulent la libération d'insuline par le pancréas de lapin étudié in vitro. Cette stimulation n'a pas lieu lorsque le milieu d'incubation est préparé sans calcium. L'absence de magnésium n'a pas d'effet sur la sécrétion insulinique stimulée par le glucose, alors que le magnésium à la concentration de 10mM exerce un effet inhibiteur. La concentration optimale du calcium extracellulaire pour la sécrétion insulinique est de 2.64 mM. La stimulation de la sécrétion insulinique par le glucose est également supprimée par l'absence de calcium pour le pancréas de foetus de lapin âgé de 27 jours.
    Abstract: Zusammenfassung Die Freisetzung von Insulin aus Kaninchen-Pankreas in vitro wird durch Glucose, Glucagon, Tolbutamid oder L-Leucin stimuliert. In allen diesen Fällen bleibt die Stimulation in Abwesenheit von Calcium in Inkubationsmedium aus. In Abwesenheit von Magnesium stimulierte Glucose die Insulinsekretion weiter, währenddem eine Erhöhung der Magnesiumkonzentration auf 10 mM deutlich hemmend wirkte. Die optimale Sekretion von Insulin erfolgte bei einer Calciumkonzentration von 2.64 mM. In Abwesenheit von Calcium wurde die Freisetzung von Insulin auch aus dem Pankreas von 27 Tage alten Foeten gehemmt.
    Notes: Summary Glucose, glucagon, tolbutamide and L-leucine stimulated insulin secretion from rabbit pancreas studiedin vitro. In each case stimulation was inhibited by omitting calcium from the incubation medium. The omission of magnesium had no effect on glucose stimulated insulin secretion but 10 mM magnesium inhibited secretion. Optimal secretion of insulin occurred at an extracellular calcium concentration of 2.64 mM. The omission of calcium inhibited glucose-stimulated insulin secretion from pancreas of 27 day rabbit foetuses.
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  • 71
    ISSN: 1432-0428
    Keywords: Spontaneous diabetes ; Chinese hamster ; Cricetulus griseus ; Ultrastructure ; Pancreas ; Beta cells ; Islets ; Alpha cells ; Nerve endings in pancreas ; Glycogen ; Basement membrane ; Capillaries
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Nous avons examiné au microscope électronique les îlots de Langerhans de 15 hamsters chinois dont 7 étaient diabétiques et 8 étaient non-diabétiques, provenant soit des mêmes nichées, soit sans lien de parenté, mais concordant quant au sexe et à l'âge. Chez les animaux de contrôle, les cellulesβ prédominent et sont riches en granules, formés de vésicules de différentes tailles avec un contenu légèrement granulaire ou homogène. Dans de rares vésicules, on observe un noyau dense ou une barre centrale irrégulière et dense. Les granulations des cellulesα sont uniformément rondes, très denses et limitées par des membranes; elles sont assez clairsemées à l'exception de la périphérie des îlots. Au début du diabète, les cellulesβ sont abondantes mais, soit dégranulées, soit en voie d'infiltration glycogénique. Plus tardivement dans la maladie, les îlots ne contiennent presque que des cellulesα, les cellulesβ ayant graduellement disparu.
    Abstract: Zusammenfassung Die Langerhans'schen Inseln von 15 chinesischen Hamstern (7 diabetischen und 8 entweder verwandten oder nicht verwandten Kontrolltieren gleichen Geschlechts und Alters) wurden elektronenmikroskopisch untersucht. In den Kontrolltieren überwiegen dieβ-Zellen die reich an Granula sind. Die meisten davon sind Bläschen verschiedener Größe mit einem blassen, körnigen oder homogenen Inhalt. Nur einige weisen einen dichten zentralen Kern auf oder einen unregelmäßigen dichten zentralgelegenen Stab. Dieα-Zellen haben einheitlich runde und dichte, durch eine Membrane begrenzte Granula und sind spärlich verteilt, außer an der Peripherie der Inseln. Im frühen Diabetes mellitus sind dieβ-Zellen in großer Zahl vorhanden aber erscheinen entweder degranuliert oder in verschiedenen Phasen der Glykogenablagerung. In späteren Stadien der Krankheit, als Folge des allmählichen Verschwindens derβ-Zellen, bestehen die Inseln fast nur noch ausα-Zellen.
    Notes: Summary Islets of Langerhans of 15 Chinese hamsters (7 diabetic and 8 either related or unrelated controls of the same sex and age) have been examined by electron microscopy. Beta cells of control animals predominate and have abundant granules most of which are vesicles of varying sizes with a pale granular or homogeneous content. Only a few have a dense central core or irregular dense central bar. Alpha cells have uniformly round, dense, membrane-limited granules and are sparse except at the periphery of the islet. Early in diabetes mellitus beta cells are abundant but either agranular or in various stages of glycogen storage. Late in the disease the islets are reduced to almost all alpha cells, the beta cells having gradually disappeared.
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  • 72
    ISSN: 1432-0428
    Keywords: Spontaneous Diabetes ; Chinese hamster ; Cricetulus griseus ; Islet volume ; Beta cell volume ; Pancreas ; Beta cells ; Prediabetes ; Preclinical diabetes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Nous avons étudié 3 groupes de hamsters chinois de la colonie des laboratoires Upjohn, soit (1) des animaux diabétiques ayant présenté des symptômes pendant 18 mois; (2) des animaux non-diabétiques des mêmes nichées; et (3) des animaux non-diabétiques et non-apparentés mais concordant par l'âge et le sexe. Le diabète spontané de ces animaux est caractérisé par une hyperglycémie, une glucosurie, une diminution du volume des îlots de Langerhans, une diminution du volume total des cellulesβ, une dégranulation des cellulesβ et l'infiltration en glycogène des îlots de Langerhans. Des anomalies de même type, mais moins marquées ont été observées chez les frères et soeurs des animaux diabétiques. A notre connaissance, c'est là la première description de la diminution de la masse des cellulesβ et de leur dégranulation avant l'apparition clinique d'un diabète spontané chez l'homme ou l'animal. Il en ressortirait que cette altération des cellulesβ pourrait bien être un mécanisme étiologique primaire de la pathogénèse du diabète spontané du hamster chinois.
    Abstract: Zusammenfassung Drei Gruppen von chinesischen Hamstern aus der Upjohn-Zucht wurden untersucht. Dazu gehörten: diabetische Tiere, die seit 18 Monaten Symptome aufwiesen, nichtdiabetische Tiere aus gleichem Wurf und nichtverwandte nichtdiabetische Tiere, die in Alter und Geschlecht den anderen entsprachen. Der Spontandiabetes zeichnet sich aus durch Hyperglykämie, Glykosurie, Abnahme des Inselvolumens, Verminderung derβ-Zellmasse, Degranulierung derβ-Zellen und Glykogeninfiltration der Inseln. In den nichtdiabetischen Geschwistertieren wurden ähnliche aber weniger markante Veränderungen festgestellt. Unseres Wissens ist dies der erste Bericht einer Verringerung derβ-Zellmasse mit Degranulierung noch ehe sich ein Spontandiabetes bei Mensch oder Tier manifestiert. Dies deutet darauf daß diese Veränderungen derβ-Zellen einen primären etiologischen Faktor bei der Entstehung des Spontandiabetes beim chinesischen Hamster darstellen könnten.
    Notes: Summary Three groups of Chinese hamsters bred at the Upjohn Laboratory were studied: these included diabetic animals in which symptoms were present for 18 months, non-diabetic siblings and non-related, non-diabetic animals of the corresponding age and sex. The spontaneous diabetes is characterized by hyperglycemia, glycosuria, decreased islet volume, decreased beta cell mass, beta cell degranulation and glycogen infiltration in the islets. In the non-diabetic siblings, similar but less marked changes were noted. To our knowledge this is the first reported observation of decreased beta cell mass and beta cell degranulation occurring prior to clinical onset of spontaneous diabetes in man or animal. It suggests that the observed alteration of beta cells is a primary etiologic mechanism in the production of spontaneous diabetes in the Chinese hamster.
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  • 73
    ISSN: 1432-0428
    Keywords: Spontaneous diabetes ; Sand rat ; Psammomys obesus ; Insulin in plasma ; Insulin resistance ; Acetohexamide ; Diet and diabetes ; Nutrition and diabetes ; Obesity ; Pancreas ; Infections ; Adipose tissue in vitro
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Certaines caractéristiques particulières du rat des sables en font un animal d'expérience de grande valeur. L'augmentation des taux plasmatiques d'insuline et de glucose est liée chez lui à une augmentation de la prise de nourriture. Tout comme c'est le cas pour le diabète humain de type adulte, il semble y avoir participation d'un élément de résistance à l'insuline qui peut être mis en évidencein vitro par la sensibilité diminuée du tissu adipeux du rat des sables à l'insuline de porc. Il semblerait qu'un traitement prophylactique par l'acétphexamide exerce un effet protecteur contre l'effet diabétogène d'un régime riche en calories. — Il semble raisonnable de penser que le syndrome diabétique du rat du sable, si facilement provoqué par la modification du régime, pourrait s'avérer être un instrument de grande valeur dans l'étude des mécanismes pathogénétiques possibles du syndrome diabétique.
    Abstract: Zusammenfassung Die Sandratte verfügt über mehrere einmalige Eigenschaften, die aus ihr ein wertvolles Laboratoriumstier machen. Das häufige Auftreten von erhöhtem Plasma-Insulinspiegel und Hyperglykämie steht im Zusammenhang mit einer gesteigerten Nahrungsaufnahme. Wie im menschlichen Reife-Diabetes scheint auch hier eine Insulinresistenz aufzutreten, und diese istin vitro nachweisbar: das inkubierte Fettgewebe der Sandratte spricht auf eine Stimulierung mit steigenden Dosen von Schweineinsulin nur wenig an. Prophylaktische Behandlung mit Acetohexamid deutet auf eine Schutzwirkung gegen die diabetogenen Folgen einer kalorienreichen Diät. — Es ist zu erwarten, daß das diabetische Syndrom in der Sandratte, das so leicht durch Manipulationen der Diät erzeugt werden kann, ein nützliches Modell zur Untersuchung der möglichen Mechanismen der diabetischen Pathogenese darstellen wird.
    Notes: Summary The sand rat has some unique attributes, which make it a valuable experimental animal. The occurrence of increased plasma insulin levels and of hyperglycemia is linked to an increased food intake. As in the human maturity-onset type diabetes, there seems to be an element of insulin resistance, and this can be demonstratedin vitro by the relative unresponsiveness of sand rat adipose tissue to increasing doses of pork insulin. Prophylactic treatment with acetohexamide seems to have some protective effect against the diabetogenic results of a high calory diet. — It is expected that the diabetic syndrome in sand rats, which can be so easily induced by dietary manipulation, will be a valuable tool in helping to clarify some of the possible mechanisms in the syndrome of diabetes mellitus.
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  • 74
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    Diabetologia 3 (1967), S. 143-166 
    ISSN: 1432-0428
    Keywords: Spontaneous Diabetes ; Sand rat ; Psammomys obesus ; Pancreas ; Ultrastructure ; Beta cells ; Alpha cells ; Protein synthesis ; Insulin in plasma ; Insulin in pancreas ; Obesity ; Nutrition and diabetes ; Diet and diabetes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé Nous avons étudié avec les microscopes optique et électronique les îlots de Langerhans du pancréas de rats des sables normaux et diabétiques. Lorsqu'ils sont maintenus à un régime normal de laboratoire, on observe chez ces animaux une dégranulation des cellulesβ et les signes d'une synthèse protéique augmentée. Dès qu'apparaît le diabète, on voit apparaître une infiltration glycogénique avec déplacement des organelles cellulaires et, plus tard, une dégénérescence cyptoplasmique avec liquéfaction. L'apparition de ces anomalies morphologiques a été mise en corrélation avec les altérations du glucose sanguin et de l'insuline immunoréactive sérique. Ce qui est remarquable chez le rat des sables, c'est qu'il ne semble pas être à même de s'adapter à l'apport calorique plus concentré de la nourriture de laboratoire. Il réagit par une surproduction insulinique, surproduction qui, en général, évite la cétose. Parfois, cette surproduction suffit à ramener le sucre sanguin à la normale. Dans des cas plus rares, la stimulation de la sécrétion insulinique se termine par une dégénérescence et une nécrose des cellulesβ avec céto-acidose mortelle.
    Abstract: Zusammenfassung Es wird über elektronen- und lichtmikroskopische Untersuchungen an Pankreas-Inseln normaler und diabetischer Sandratten berichtet. Nach Verabreichung einer synthetischen Keks-Diät wurden eine Degranulation derβ-Zellen und Zeichen einer vermehrten Proteinsynthese beobachtet. Gleichzeitig mit dem Auftreten von Diabetes erfolgte Glykogeninfiltration, begleitet von einer Verdrängung der Zellorganellen und gelegentlicher Degeneration und Verflüssigung des Cytoplasmas. Diese Veränderungen wurden mit Blutzucker-und immunreaktivem Serum-Insulinspiegel in Zusammenhang gebracht. — Sandratten sind einzigartig in der Hinsicht, daß sie nicht in der Lage sind, das vermehrte Kalorienangebot der synthetischen Diät auf normale Art zu bewältigen. Sie reagieren mit Mehrproduktion von Insulin. Die gesteigerte Insulmausschüttung hält das Tier gewöhnlich frei von Ketose, bringt den Blutzucker gelegentlich auf normale Werte zurück, endet aber in seltenen Fällen mit einer Degeneration und Nekrose derβ-Zellen mit anschließender fataler Ketoacidose.
    Notes: Summary Ultrastuctural and light microscopic studies of pancreatic islets in normal and diabetic sand rats are reported. Following the institution of a synthetic chow diet, beta cell degranulation and enhanced protein synthesis were observed. With the appearance of diabetes, glycogen infiltration occurred, with displacement of cellular organelles and eventual cytoplasmic degeneration and liquefaction. These alterations were correlated with blood glucose and serum immunoreactive insulin levels. — The sand rats are unique in that they are not able to cope with the increased caloric load of synthetic chow. They respond by marked insulin production; an increase that usually maintains the animal free of ketosis, occasionally returns them to a euglycemic state, and may rarely be terminated by beta cell degeneration and necrosis with fatal ketoacidosis.
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  • 75
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    Diabetologia 3 (1967), S. 212-221 
    ISSN: 1432-0428
    Keywords: Spontaneous Diabetes ; KK mice ; Japanese mice ; Obesity ; Growth hormone ; Pituitary ; Islets of Langerhans ; Pancreas ; Ultrastructure ; Beta cells ; Insulin in pancreas ; Sex and diabetes ; Adrenal cortex ; Zinc
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Résumé 1. Un état diabétique est démontré chez des souris d'une souche japonaise, la souche KK, mis en évidence par une élévation du sucre sanguin et par une diminution de la tolérance au glucose. 2. Le poids corporel des souris KK dépasse la normale; il s'agit d'une obésité modérée. 3. L'activité insulinique du pancréas et le contenu en hormone de croissance de l'hypophyse de souris KK dépassent ceux observés chez des souris C57BL. 4. Histologiquement, on trouve chez les souris KK une hypertrophie et une hyperplasie des îlots de Langerhans, une hypertrophie et une dégranulation des cellules B, une abondance de ribosomes et de réticulum endoplasmique des cellules B, un développement marqué de la région de Golgi des mêmes cellules, et une diminution du contenu en zinc des cellules insulaires. D'autres anomalies ont également été observées dans d'autres organes des souris KK, plus particulièrement pour l'hypophyse, le foie, les surrénales et la parathyroïde.
    Abstract: Zusammenfassung 1. Bei Mäusen des KK-Stammes (japanische Zucht) ist mit Bestimmung von Glucosetoleranz und Blutzuckerwerten ein diabetischer Zustand nachweisbar. 2. Das Körpergewicht von KK-Mäusen liegt über der Norm, und es besteht eine leichte Fettsucht. 3. Die Insulinaktivität des Pankreas und der Gehalt der Hypophyse an Wachstumshormon sind bei KK-Mäusen höher als bei C57BL-Mäusen. 4. Das Pankreas der KK-Mäuse zeigt auffallende Veränderungen, wie Hypertrophie und Degranulierung derβ-Zellen, reichlich Ribosomen und endoplasmatisches Reticulum in denβ-Zellen, sowie starke Ausbildung des Golgiapparates und Verminderung des Zinkgehaltes der Inselzellen. 5. Auch andere Organe (z.B. Adenohypophyse, Leber, Nebenniere und Nebenschilddrüse) der KK-Mäuse weisen Veränderungen auf.
    Notes: Summary This review demonstrates the following points:1. By glucose tolerance test and the determination of non-fasting blood sugar values, mice of KK strain (a Japanese strain) have been shown to be in a diabetic state. 2. KK mice have greater than normal body weights, and moderate obesity. 3. Pancreatic insulin activity and adenohypophyseal growth hormone content of KK mice are greater than those of C75BL mice. 4. The pancreas of KK mice presents many striking changes, such as the hypertrophy and hyperplasia of the islets, the hypertrophy and degranulation of B cells, the abundance of B cell ribosomes and endoplasmic reticulum, the enlargement of the Golgi areas of B cells, and the diminution of the zinc content of insular cells. 5. In other organs (eg. adenohypophysis, liver, adrenal and parathyroid) of KK mice, many changes are also observed. The above features of KK mice are discussed in relation to the presumed metabolic disorder in the mice.
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  • 76
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    International Journal of Quantum Chemistry 1 (1967) 
    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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  • 77
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    International Journal of Quantum Chemistry 1 (1967), S. 1-6 
    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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  • 78
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    International Journal of Quantum Chemistry 1 (1967), S. 7-12 
    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: 2 Ill.
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  • 79
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    International Journal of Quantum Chemistry 1 (1967), S. 13-36 
    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: 2 Ill.
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  • 80
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    International Journal of Quantum Chemistry 1 (1967), S. 37-102 
    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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  • 81
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    International Journal of Quantum Chemistry 1 (1967), S. 119-119 
    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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  • 82
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    International Journal of Quantum Chemistry 1 (1967) 
    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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  • 83
    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: 2 Tab.
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  • 84
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
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  • 85
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    International Journal of Quantum Chemistry 1 (1967), S. 139-145 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On analyse quelques calculs d'atomes à plusieurs électrons. On établit que pour les atomes neutres l'énergie d'interaction électron-électron peut être représentée approximativement par un multiple constant de l'énergie d'interaction électron-noyau. Par conséquent l'énergie totale de ces atomes-ci dépend d'une façon très simple du nombre atomique.
    Abstract: Berechnungen für Atome mit vielen Elektronen sind analysiert. Es ist gezeigt dass für neutrale Atome die Wechselwirkungsenergie zwischen Elektronen von einem konstanten Vielfache der Wechselwirkungsenergie zwischen den Elektronen und dem Kern wohl approximiert werden kann. Eine Folge dieses Satzes ist dass die Totalenergie dieser Atome in sehr einfacher Weise von der Atomnummer abhängt.
    Notes: Many-electron atom calculations are analyzed. It is proved that for neutral atoms to a good approximation the electron-electron interaction energy is a constant multiple of the electron-nucleus interaction energy. A consequence of the above theorem is that the total energy of these atoms shows a very simple dependence on the atomic number.
    Additional Material: 4 Ill.
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  • 86
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    International Journal of Quantum Chemistry 1 (1967), S. 161-167 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On étudie les informations relatives aux indices de réfraction pour quelques gaz pour obtenir des formules analytiques. De celles-ci on obtient le coéfficient du terme principal de l'interaction de longue portée entre deux corps ainsi que celui de l'interaction de longue portée non-additive entre trois corps. On calcule les coéfficients correspondants pour des mélanges des gases He, Ne, A, Kr, Ze, H2, N2 et CH4, l'erreur probable étant 5%.
    Abstract: Gewisse Brechungsindexinformationen für mehrere Gase sind zu analytischen Formeln angepasst. Von diesen berechnet man die Koeffiziente des Prinzipalglieds der Wechselwirkung zwei entfernter Körper und der non-additiven Wechselwirkung drei entfernter Körper. Koeffizienten sind für Mischungen der Gase He, Ne, A, Kr, Xe, H2, N2 und CH4 berechnet, mit einem wahrscheinlichen Fehler von 5%.
    Notes: The refractive index data for various gases are fitted to analytical formulae from which may be calculated the coefficient of the leading term of the long-range two-body interactions and the coefficient of the leading term of the long-range non-additive three-body interactions. Coefficients are obtained for mixtures of the gases He, Ne, A, Kr, Xe, H2, N2 and CH4, the probable error being 5%.
    Additional Material: 3 Tab.
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  • 87
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    International Journal of Quantum Chemistry 1 (1967), S. 147-159 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On a construit un programme pour un ordinateur électonique pour calculer les bandes d'énergie suivant l'approximation “tight-binding”. Ce programme a été employé pour des cristaux de α zirconium sans et avec de l'oxygène dissout. Les bandes d'énergie résultantes et les distributions des orbitales correspondantes représentent une quantité énorme d'information numérique. Un autre programme a été construit pour analyser les populations des bandes occupées. Ce programme-ci va réduire considérablement l'information produite. Seulement les bandes occupées sont décrites dans un nombre de directions dans l'espace k. Les nombres d'occupation sont sommés pour les orbitales de nombres quantiques egaux, l et |m|, et sont calculés pour chaque bande en fonction de k.
    Abstract: Ein Maschinenprogramm ist für “tight-binding” Berechnungen von Energiebänder geschrieben worden. Dieses Programm ist auf Kristallen von α Zirkonium mit und ohne gelästen Sauerstoff angewendet. Die resultierenden Energiebänder und Orbitalverteilungen repräsentieren eine sehr grosse Menge von numerischer Information. Ein anderes Programm ist nun geschrieben worden für Populationsanalyse der besetzten Bänder. Dieses Programm reduziert die Informationsmenge in ansehnlicher Weise, und nur besetzte Bänder sind für einige verschiedene Richtungen im k Raum gegeben. Die Besetzungszahlen sind für Orbitale mit gleichen Quantenzahlen l und |m| summiert, und für jedes Band als eine Funktion von k erhalten.
    Notes: An electronic-computer programme has been written by the author for calculations of energy bands in the tight-binding approximation. This programme has been applied to crystals of α zirconium with and without dissolved oxygen. The resulting energy bands and orbital distributions represent an enormous amount of numerical data. Another programme has now also been written by the author for population analysis of the occupied bands. This programme will reduce the resulting output considerably, and only occupied bands are represented in a number of directions in k space. The occupation numbers are summed up for orbitals with equal quantum numbers l and |m|, and are found for each band as a function of k.
    Additional Material: 1 Ill.
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  • 88
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    International Journal of Quantum Chemistry 1 (1967) 
    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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  • 89
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    International Journal of Quantum Chemistry 1 (1967), S. 187-190 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On emploie la méthode de Tomonaga pour déterminer la fréquence des oscillations collectives résultant de l'excitation d'un électron dans le systeme d'électrons π d'un hydrocarbure aromatique regardé comme un gaz d'électrons libres en deux dimensions. Les fréquences calculées et mesurées s'accordent parfaitement, bien que la coordonnée collective ne fût pas conjugée au moment collectif.
    Abstract: Man berechnet, mit der Methode von Tomonaga, die Frequenz kollektiver Schwingungen, verursacht von der Aufregung eines Elektrons in dem System von π Elektronen eines aromatischen Kohlenwasserstoffes, das als ein Gas freier Elektronen angesehen wird. Berechnete und Experimentelle Frequenzen stimmen sehr wohl überein, obgleich die kollektive Koordinate nicht zu dem kollektiven Impuls konjugiert sei.
    Notes: Considering the π electrons in aromatic hydrocarbons as forming a two-dimensional free-electron gas, the Tomonaga method has been followed to determine the frequency of collective oscillations when an electron is excited in these systems. The calculated and experimental frequency have been found to be in excellent agreement, although the collective coordinate was not conjugate to the collective momentum in these systems containing only few free π electrons.
    Additional Material: 1 Tab.
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  • 90
    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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  • 91
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    International Journal of Quantum Chemistry 1 (1967), S. 225-241 
    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: 5 Ill.
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  • 92
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On a calculé l'énergie d'interaction de longue portée entre deux atomes d'hydrogène jusqu'au second ordre de la perturbation. Tous les états du système provenant de l'un des atomes dans un état 1s et l'autre dans l'un des états 2s ou 2p ont été considérés. L'énergie, représentée par une série en puissances inverses de la distance internucléaire, R, a été calculée jusqu'aux termes d'ordre R-8. On estime que les énergies d'interaction sont correctes pour R 〉 15 u.a. On a calculé aussi d'une façon précise l'énergie d'interaction entre deux atomes d'hydrogène dans leurs états fondamentaux jusqu'aux termes d'ordre R-10. Les résultats pour l'état B′ 1∑u+ sont employés pour discuter l'énergie de dissociation expérimentale de H2, D2, et HD. Pour H2 on démontre que toutes les valeurs de l'énergie de dissociation, obtenues de limites d'absorption expérimentales (les courbes d'énergie potentielle étant employées pour éliminer l'effet de rotation) sont consistantes. Cependant l'énergie totale résultante de H2 est plus grande que la valeur théorique la plus exacte.
    Abstract: Die Wechselwirkungsenergie zwei entfernter Wasserstoffatome ist mit Störungstheorie zweiter Ordnung berechnet. Alle Zustände des Systems, die von einem der Atome in einem 1s Zustand und von dem anderen in einem 2s oder 2p Zustand entstehen können, sind berücksichtigt. Die Energie, die als eine Reihe in reziproken Potenzen des Kernabstands R ausgedrückt ist, ist bis Glieder in R-8 berechnet. Die resultierenden Wechselwirkungsenergien sind wahrscheinlich für R 〉 15 a.E. zuverlässig. Genaue Wechselwirkungsenergien für zwei Wasserstoffatome im Grundzustand sind auch bis Glieder in R-10 berechnet. Die Resultate für den B′ 1∑u+ Zustand sind benutzt um die experimentellen Dissoziationsenergien von H2, D2, und HD im Grundzustand zu untersuchen. Für H2 sind alle Werte der Dissoziationsenergie, die von experimentellen absorptionsgrenzen mit Anwendung von den berechneten Potentialenergiekurven um den Effekt der Rotation zu absondern, erhalten sind, in befriedingender Weise übereinstimmend. Die resultierende Totalenergie von H2 ist aber grösser als der richtigste theoretische Wert.
    Notes: Long-range interaction energy between two hydrogen atoms has been computed in the second order of the perturbation theory. All states of the system arising when one of the atoms is in the 1s and the other in the 2s or 2p state have been considered. The energy represented by a series expansion in inverse powers of the internuclear distance, R, has been computed up to the terms in R-8. The results are believed to give reliable interaction energies for R 〉 15 a.u. Accurate interaction energy for two ground-state hydrogen atoms has also been obtained up to the terms in R-10. Results for the B′ 1∑u+ state are employed to discuss the experimental ground-state dissociation energy of H2, D2, and HD. For H2 all values of the dissociation energy obtained from various experimental absorption limits, by using the computed potential energy curve to separate off the effect of rotation, are shown to be satisfactorily consistent. The resulting total energy of H2 is, however, higher than the most accurate theoretical value.
    Additional Material: 4 Ill.
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  • 93
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 1 (1967), S. 191-215 
    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
    Description / Table of Contents: On présente un modèle pour estimer les ionicités de molécules et d'ions complexes. Ce modèle est basé sur une minimisation de l'énergie totale par la méthode des énergies d'ionisation différentielles. L'effet sur les énergies des corrections de Madelung est considéré. Il est possible d'améliorer la méthode en calculant les énergies de la liaison covalente.On a fait des calculs de type Wolfsberg-Helmholz dans le cadre de ce modèle, en incorporant les corrections de Madelung. Ces corrections-ci rendent les courbes d'énergie d'ionisation du métal moins raides et les énergies d'ionisation des ligandes sont presque invariables par rapport aux charges. Ceci crée une situation qui a été jusqu'ici imposée artificiellement en choisissant les énergies d'ionisation des ligandes de façon à créer des termes désirables dans le déterminant séculaire de Wolfsberg-Helmholz. On démontre que l'effet de l'énergie de Madelung constitue l'influence primaire pour décrire l'ionicité et l'énergie totale d'un chromophore; on démontre que les effets de la liaison covalente sont secondaires quand les ligandes et l'atome central ont des électronégativités assez différentes.
    Abstract: Ein Modell für die Abschätzung von Ionizitäten in Moleküle und Komplexionen wird beschrieben. In diesem Modell wird die Totalenergie mit der Methode der differentiellen Ionisationsenergien minimisiert. Der Effekt der Madelungkorrektionen wird berück-sichtigt, und das Modell wird durch Berechung der kovalenten Bindungsenergien verbessert.Wolfsberg-Helmholzberechungen werden für dasselbe Modell mit Madelungkorrektionen einverlei ausgeführt. Die Madelungkorrektionen machen die Ionisations-energiekurven der Metalle weniger steil; die Ionisationsenergien der ligander sind fast imvariant mit der Ladung. Dies schafft eine Situation, die bisher in künstlicher Weise durch die Wahl der Ionisationsenergien der Liganden in der Wolfsberg-Helmholzsche Methode gegeben war. Es würd gezeigt, dass die Madelungenergie das wichtigste Glied für die Beschriebung der Ionizität und der Totalenergie eines Kromophors ist, und dass diese Effekteüber die kovalente Bindung dominieren, wenn die Liganden und das Zentralatom sehr verschiedene Elektronegativitäten haben.
    Notes: A model is presented for the estimation of ionicities in molecules and complex ions. The model uses the minimization of total energy by the method of differential ionization energies. The effect of Madelung corrections to the energies is considered, and the model is refined by evaluating the covalent-bond energies.Wolfsberg-Helmholz calculations have been applied to the same type of model, also incorporating Madelung corrections. The Madelung corrections make the metal ionization energy curves less steep, and the ligand ionization energies are nearly invariant with charge. This creates a situation which has previously been artificially imposed by selecting the ligand ionization energies to give desirable terms in the Wolfsberg-Helmholz secular determinant. The effect of Madelung energy is shown to be the primary influence in describing the ionicity and total energy of a chromophore; covalent bonding effects are shown to be secondary when the ligands and the central atom have fairly different electronegativities.
    Additional Material: 3 Ill.
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  • 94
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 1 (1967), S. 243-249 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 95
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 1 (1967), S. 285-291 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Le spectre de valeurs propres d'un système dynamique conservatif est contenu implicitement dans sa fonction de Green. Il devient explicite dans la transformée de Fourier de la fonction de Green ou de sa trace. Cette trace n'existe que dans le cas où le spectre est complètement discret. On présente des applications aux problèmes d'une particule libre, de l'oscillateur harmonique linéaire et de l'atome d'hydrogène. Dans les deux derniers cas on peut simplifier la détermination de la fonction de Green considérablement en transformant l'Hamiltonien.
    Abstract: Das Eigenwertspektrum eines konservativen, dynamischen Systems ist in impliziter Weise in seiner Greenschen Funktion enthalten. Es wird in dem Fouriertransform der Greenschen Funktion oder deren Spur explizit. Der Spur existiert nur wenn das Spektrum durchaus diskret ist. Diese Methoden sind auf die Probleme des freien Teilchens, des linearen harmonischen Oszillators und des Wasserstoffatoms angewendet. In den zwei letzteren Fällen kann die Bestimmung der Greenschen Funktion wesentlich mit Transformationen des Hamiltonoperators vereinfacht werden.
    Notes: The energy eigenvalue spectrum for a conservative dynamical system is contained implicitly in its Green's function. It becomes explicit in the Fourier transform of either the Green's function or its trace. The trace exists only when the spectrum is entirely discrete. Applications are made to the free particle, the linear harmonic oscillator, and the hydrogen atom. In the latter two cases determination of the Green's function can be considerably simplified by similarity transformations on the Hamiltonian operator.
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  • 96
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On a calculé l'état fondamental et trois états ionisés de N2 pour plusieurs distances intérnucléaires selon l'approximation SCF—MO—LCAO. Les coéfficients linéaires ainsi que les constantes d'écran des orbitales atomiques ont été optimisés. On a calculé des courbes de l'énergie potentielle les constantes moléculaires ωe, ωexe, Be, αe, et Re pour les états cités. Les résultats calculés sont comparés aux données expérimentales ainsi qu'aux résultats d'autre calculs ab initio.
    Abstract: Die SCF—MO—LCAO Methode wird auf den Grundzustand und auf drei jonisierten Zustände von N2 für mehrere Kernabstände angewendet. In diesen Berechnungen werden sowohl die lineare Koeffizienten als auch die Abschirmungskonstanten der Atomorbitale optimiert. Die Molekülkonstanten ωe, ωexe, Be, αe, und Re sind für die zitierten Zustände aus den Potenzialenergiekurven berechnet worden. Die berechneten Resultate werden mit experimentellen Angaben und mit Resultaten anderer ab initio Berechnungen verglichen.
    Notes: The self-consistent-field molecular-orbital method in LCAO (linear combination of atomic orbitals) approximation is applied to the ground and three ionized states of N2 at a number of internuclear distances for the computation of the potential energy curves. In these calculations both the linear coefficients and the screening constants of the atomic orbitals have been optimized. The molecular constants ωe, ωexe, Be, αe, and Re have also been calculated for the above states from the computed potential energy curves. The computed spectral results are compared with the experimental data as well as with the results reported by others from ab initio calculations.
    Additional Material: 4 Ill.
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  • 97
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 1 (1967) 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 98
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 1 (1967), S. 271-283 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Une fonction d'onde, qui n'est pas une fonction propre exacte, peut, si elle satisfait à des conditions analytiques propres, ětre regardée comme représentant la configuration initiale d'un état non-stationnaire. Pendant son évolution suivante dans le temps le système quantique expose implicitement son spectre total de valeurs propers. On établit une méthode pour le calcul direct du spectre des valeurs propres de l'énergie, basée en principe sur l'analyse de Fourier du système quantique évoluant. La fonction spectrale est développement est tronqué, ce qui est nécessaire dans toute application, la fonction spectrale correspondante représente un spectre moyen de valeurs propres. Une approximation alternative mène à la méthode des moments. En augmentant le nombre des termes on peut améliorer le spectre calculé. Dans certains cas on peut éluder la méthode des moments, s'il est possible d'obtenir en forme clos l'action de l'opérateur d'évolution. Ceci revient a trouver une solution de l'équation de Schrödinger dépendant du temps. Les différentes méthodes de spectroscopie de valeurs propres sont appliquées au probleme de l'oscillateur harmonique.
    Abstract: Eine Wellenfunktion die nicht eine exakte Eigenfunktion ist, kann, unter gewissen analytischen Bedingungen als repräsentierend eine Initial-konfiguration eines nichtstationären Zustands betrachtet werden. Während ihre folgende Entwicklung in der Zeit, legt der Quantensystem in impliziter Weise seinen ganzen Eigenwertspektrum dar. Eine Methode, die im Prinzip auf Fourieranalysis des entwickelnden Systems basiert ist, ist für die direkte Berechung des Eigenwertspektrums benutzt. Die Spektralfunktion ist als eine Momentenentwicklung ausgedrückt, die eine Funktion der Mittelwerte der Potenzen des Hamiltonoperators ist. Wenn die Entwicklung abgebrochen ist, was notwendig ist in alle praktische Anwendungen, ist die entsprechende Spektralfunktion als ein Eigenwertspektrum im Mittel repräsentiert. Eine alternative Approximation führt zu die Quanten-mechanische Methode der Momente. Als die Nummer der Glieder wächst, wird das berechnete Spektrum scharfer und genauer. In gewissen Fällen kann man die Momentenentwicklung entgehen, wenn die Wirkung des Evolutions-operators in geschlossener Form ausdrückt werden kann. Dies ist eine Lösung der Zeitabhängigen Schrödingergleichung zu finden gleichwertig. Die Methoden der Eigenwertspektroskopie werden auf den harmonischen Oszillator angewendet.
    Notes: A wave function which is other than an exact eigenfunction, if it obeys appropriate analytical conditions, can be considered to represent the initial configuration of a nonstationary state. In the course of its subsequent time development the quantum system exhibits implicitly its entire eigenvalue spectrum. A method based, in principle, on Fourier analysis of the evolving quantum system is applied to the direct calculation of the energy eigenvalue spectrum. The spectral function is expressed as a moment expansion, in terms of expectation values of powers of the Hamiltonian. When the expansion is truncated, as it must be in any practical application, the corresponding spectral function represents a smeared-out eigenvalue spectrum. An alternative approximation leads to the quantum-mechanical method of moments. As the number of terms is increased, the computed spectrum becomes sharper and more accurate. In certain cases the moment expansion can be circumvented, if the action of the evolution operator can be evaluated in closed form. This is equivalent to finding some solution of the time-dependent Schrödinger equation. The various methods of eigenvalue spectroscopy are applied to the harmonic oscillator.
    Additional Material: 3 Ill.
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  • 99
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 1 (1967), S. 321-325 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On établit une nouvelle méthode variationelle pour calculer la probabilité de transitions défendues, ainsi que des bornes supérieures etinférieures del'élément matriciel correspondant.
    Abstract: Ein neues Variationsprinzip für die Wahrscheinlichkeit verbotener Übergänge wird angegeben. Man erhält auch obere und untere Grenzen für das entsprechende Matrixelement.
    Notes: A new variational principle for the probability of forbidden transitions is derived. Upper and lower bounds for the corresponding matrix element are given.
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  • 100
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 1 (1967), S. 311-319 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On établit une méthode générale pour calculer des structures atomiques, basée sur le principe “des fonctions radiales différentes pour des électrons différents”. On décrit les connections entre cette méthode-ci et les méthodes ordinaires. Dans la méthode proposée les complications additionelles entrent seulement dans le traitment des variables radiles. Les règles générales pour les calculs nouveaux sont formulées.
    Abstract: Eine verallgemeinerte Methode für Atomstrukturberechnungen wird charakterisiert. Man braucht in dieser Methode verschiedene Radialfunktionen für verschiedene Elektronen. Der Zusammenhang zwischen den verallgemeinerten und den gewöhnlichen Methoden wird beschreibt. Spezille Komplikationen treten nur in der Behandlung der radiller Variabeln auf. Die allgemeine Regeln für Berechnungen mit der neuen Methode werden formuliert.
    Notes: The extended method of calculation of atomic structures is characterized. This method is understood as the use of as many radial orbitals as there are electrons in the atom under consideration. The process of passing from the ordinary method of calculation to the extended one is described. In the method proposed the additional complications appear within the confines of dealing with radial variables only. The general rules for carrying out the calculations, in applying the extended method, are formulated.
    Type of Medium: Electronic Resource
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