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  • Chemistry  (3)
  • Spin-orbit interaction
  • band shape
  • solvent effects
  • 1995-1999  (3)
  • 1997  (3)
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Keywords
Publisher
Years
  • 1995-1999  (3)
Year
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 65 (1997), S. 377-377 
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: No abstract.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 65 (1997), S. 885-891 
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The red shift of the first absorption band of benzene in the condensed phase is calculated. The solid-phase calculations are performed using the experimental crystal structure. For the liquid two different approaches are considered. One is the herringbone structure suggested by X-ray experiments, and the other uses supermolecules generated by Monte Carlo simulation. Attention is given to the contribution of the usual parallel and T-shape conformations of the benzene dimers obtained in the simulation. Comparison with experiment shows a relatively poor result for the herringbone structure and good agreement for the supermolecular structures generated by the simulation.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65: 885-891, 1997
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 65 (1997), S. 1031-1031 
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: No abstract.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
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