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Computer generation of nuclear spin species and nuclear spin statistical weights (1982)

Balasubramanian, K.

New York, NY [u.a.] : Wiley-Blackwell

Journal of Computational Chemistry 3 (1982), S. 75-88

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ISSN: 0192-8651

Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Computer Science

Notes: This article develops computer programs for computer generation of nuclear spin species and nuclear spin statistical weights of rovibronic levels. The programs developed here generate nuclear spin species and statistical weights from the group structures known as generalized character cycle indices (GCCIs) which are computed easily from the character table of the PI group of the molecule under consideration. Procedures are illustrated with examples.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/jcc.540030113

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