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The anharmonic constants for a symmetric top

โœ Scribed by A. Willetts; N.C. Handy

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
261 KB
Volume
235
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The purpose of this Letter is to validate the formulae of Pliva for the anharmonic constants of a symmetric top molecule. Special attention is paid to molecules with high-order principal axes. Calculations have been performed on molecules with principal axes of order four (SFsC1) and six (C6H6). Values for the anharmonic constants of C6H 6 are compared with the earlier values of Maslen, Handy, Amos and Jayatilaka.

๐Ÿ“œ SIMILAR VOLUMES

Characters for symmetric and antisymmetr
Characters for symmetric and antisymmetric higher powers of representations: Application to the number of anharmonic force constants in symmetrical molecules
โœ Xue-Feng Zhou; Peter Pulay ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 375 KB

Explicit formulas are given for the characters of symmetric and antisymmetric powers of an arbitrary representation up to the sixth, and a general method for obtaining the higher ones is described. The results allow, among others, the determination of nonvanishing higher force constants in symmetric