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  • Computational Chemistry and Molecular Modeling  (9)
  • Life and Medical Sciences  (2)
  • Spinal cord  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Regulatory Peptides 46 (1993), S. 155-164 
    ISSN: 0167-0115
    Keywords: Autoradiography ; Dorsal horn ; Electron microscopy ; Enkephalin ; Horseradish peroxidase ; Spinal cord ; Substance P ; Triple labelling
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Medicine
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1432-0568
    Keywords: Terminal degeneration ; Dorsal rhizotomy ; Glomeruli ; Spinal cord ; Rat
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary After cervical dorsal rhizotomy, small dark central terminals (CI) of glomeruli underwent electron dense changes at 8 h and were all degenerated at 36 h; their number persisted, though slightly diminished, up to 15 days, glial engulfment being negligible. Light large central terminals without neurofilaments (CIIa) showed electron-lucent or electron-dense degeneration from 14 to 36 h, while those with neurofilaments (CIIb) exhibited increased neurofilamentous areas, with depletion and presynaptic concentration of synaptic vesicles as in the electron-lucent change, at the 8–36 h postrhizotomy periods. Both CII-varieties were all degenerated at 36 h and became electron dense at 48 h; glial phagocytosis was intense and no terminals were present after 4 days. It is concluded that in the rat the 3 types of central glomerular terminals are primary axons, and that each type undergoes a different pattern of degeneration which points to a separate primary afferent origin. Numerous nonglomerular axodendritic endings began showing electron-dense degeneration at 8 h which rapidly masked their normal structure, although most appeared to contain round agranular vesicles, and some of them dense-cored vesicles (in lamina I). A few endings exhibited electronlucent degeneration. Labeling methods seem preferable for studying the primary origin of nonglomerular terminals, due to the difficulty in recognizing the normal predegenerative structure of these profiles.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 19 (1981), S. 681-691 
    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 first principles method based on an APW-k · p band structure calculation is derived in order to obtain the self-consistent eigenenergies, crystal potential, and electronic density. The simplicity and extensions of the method are discussed, including comparison with the results obtained by the use of the Chadi and Cohen special points technique.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 20 (1981), S. 933-949 
    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 self-consistent APW-k · p method is utilized to obtain the band structure of NaCl in the “muffin-tin” approximation. Qe have investigated the convergence of many intermediate results, e.g., crystalline potential, matrix elements of the momentum operator, and energy eigenvalues at the Γ point. The summation in reciprocal space, included in the definition of the matrix D of the theory, is performed by direct sum and also by a special points technique. For the convergence criteria used, the results converged after five iterations.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 375-379 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The two-dimensional (2D) energy of the hydrogen molecule is carried out by the Heitler-London method. The 2D integrals (which are more localized compared to 3D ones) are performed in the light of the 3D Slater integrals. A discussion of such 2D systems is briefly outlined for doped semiconductors.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 34 (1988), S. 21-24 
    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 theoretical prediction of the absorption coefficients of shallow donor pairs in uncompensated doped semiconductors has been performed within the framework of the Alternant Molecular Orbital method. The interaction between the lattice and the electronic excitation is well understood in terms of the Frank-Condon model. Calculations for the value of the electron-LO phonon interaction parameter S have been extended to include the donor pair excitation. The model has been applied for Si:P and Ge:P.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 38 (1990), S. 411-418 
    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 theoretical prediction of the absorption spectra in n-doped semiconductors due to donor pairs is extended further to investigate its contribution to the refractive index of phosphorus-doped silicon. Such a contribution yields a polarization catastrophe at the metal-nonmetal transition. The alternant molecular orbital with a many-valley character of the host material is used in the calculation. The results show good agreement with experiments.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 661-661 
    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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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 30 (1986), S. 685-694 
    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 Variational alternant molecular orbital method (VAMO) is described and applied to the case of three-dimensional and two-dimensional hydrogen molecules. The energies of the electron system are obtained, together with the equilibrium distances of the molecules. The intergrals equivelent to the Slater's integrals of the nonvariational method are described. Applications of this method to realizable systems are described.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 34 (1988), S. 15-20 
    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: We have investigated the impurity states in direct gap doped semiconductors via the alternant molecular orbital method with application to n-CdS. Good agreement compared with available experimental data and other calculations for resistivity and metal-nonmetal transition critical point are found. For spin susceptibility we have done an extensive calculation with and without correlation or disorder effects. Such calculation suggests experiments on concentration-dependent susceptibility in n-CdS.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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