✦ LIBER ✦

Computer generation of nuclear spin species and nuclear spin statistical weights

✍ Scribed by K. Balasubramanian

Publisher: John Wiley and Sons
Year: 1982
Tongue: English
Weight: 733 KB
Volume: 3
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540030113

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✦ Synopsis

Abstract

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.

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