The geometry of acryloyl fluoride was optimized completely at the RHF/6-31G\* level of theory at 10 points on the theoretical potential energy curve for internal rotation. The energies obtained were used to determine a six term cosine expansion of the torsional potential energy function. This functi
Effective potential function of internal rotation in the nonrigid approximation
✍ Scribed by A.V. Abramenkov; Ch.W. Bock; G.R. De Maré; Yu.N. Panchenko
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 1006 KB
- Volume
- 376
- Category
- Article
- ISSN
- 0022-2860
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