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  • Computational Chemistry and Molecular Modeling  (2)
  • 1970-1974  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Interactions between molecules in the neighborhood of a long linear molecule (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 991-998 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The third-order interaction between two nonpolar molecules due to the instantaneous induced dipole effect of an infinitely long linear molecule is assessed following arguments similar to earlier research on three-body effects. It is found that an attractive force favors small polar angles in approach to the linear molecule; such behavior could be of interest to processes such as those involved in replication of DNA.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070514
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Matrix elements in all valence electron models (1974)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 8 (1974), S. 925-940 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Model Hamiltonians for all valence electron calculations are examined with regard to the possibility of obtaining consistent sets of matrix elements for the description of electromagnetic processes such as photon absorption, optical activity, and magneto-optical activity. Linear and angular momentum and position operator matrix elements are related to Hamiltonian matrix elements through symmetry relations and equations of motions. The possibility of elimination of empirical interatomic matrix elements is studied.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560080608
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    Paper (German National Licenses)
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