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An algorithm for the generation of nuclear spin species and nuclear spin statistical weights

✍ Scribed by K. Balasubramanian

Publisher: John Wiley and Sons
Year: 1982
Tongue: English
Weight: 438 KB
Volume: 3
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540030112

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✦ Synopsis

Abstract

This article develops a set of algorithms for the computer generation of nuclear spin species and nuclear spin statistical weights potentially useful in molecular spectroscopy. These algorithms generate the nuclear spin species from group structures known as generalized character cycle indices (GCCIs). Thus the required input for these algorithms is just the set of all GCCIs for the symmetry group of the molecule which can be computed easily from the character table. The algorithms are executed and illustrated with examples.

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