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• W1974970159 abstract "Corrections to calculated potential energy functions for internal rotation in methanol, acetaldehyde and propanal due to the zero-point energies of the other vibrations are calculated by a variety of ab initio methods. En route, the variations of some molecular parameters and vibrational “constants” with torsional angle are exhibited, and in particular the correlation between individual methyl CH bond lengths and isolated CH stretching frequencies for methanol and acetaldehyde is demonstrated." @default.
• W1974970159 created "2016-06-24" @default.
• W1974970159 creator A5027128497 @default.
• W1974970159 date "1994-04-01" @default.
• W1974970159 modified "2023-09-26" @default.
• W1974970159 title "Variation of geometry, vibrational frequencies and zero-point energies with internal rotation" @default.
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• W1974970159 doi "https://doi.org/10.1016/0022-2860(93)08010-2" @default.
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