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The formate anion: An ab initio study of its equilibrium structure, general harmonic force field and fundamental vibrational frequencies

✍ Scribed by A.R. Gregory; K.G. Kidd; G.W. Burton

Book ID
119115831
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
967 KB
Volume
104
Category
Article
ISSN
0166-1280

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## 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