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An ab initio study of the in-plane harmonic force fields and fundamental vibration frequencies of cis- and trans-1,3-butadiene

✍ Scribed by Charles W. Bock; Mendel Trachtman; Philip George

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
829 KB
Volume
84
Category
Article
ISSN
0022-2852

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πŸ“œ SIMILAR VOLUMES

An ab initio study of the geometry, harm
An ab initio study of the geometry, harmonic and anharmonic force fields, and fundamental vibrational frequencies of cis- and trans- thiolformic acid
✍ Charles W. Bock; Mendel Trachtman; Philip George πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 774 KB

## Abstract The geometry, harmonic and anharmonic force fields, and fundamental vibrational frequencies of __cis__‐ and __trans__‐thiolformic acid are studied __ab initio__ in the 4‐31G basis set. An extensive comparison is made between changes in diagonal and off‐diagonal quadratic and cubic force