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  • Computational Chemistry and Molecular Modeling  (1)
  • 1975-1979  (1)
  • 1970-1974
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  • 1
    Electronic Resource
    Electronic Resource
    PCILO Calculations on charge transfer complexes (1977)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 427-433 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The equilibrium distances of the complex components and the stabilization energies were calculated for the molecular complexes ethylene-fluorine, ethylene-chlorine, tetracyanoethylene-benzene, tetracyanoethylene-durene, and quinone-hydroquinone using the PCILO method. The results are compared with the experimental values and the theoretical predictions of the CNDO/2 method.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560110306
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