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Solvent dependency of rotational barriers in ethamivan and comparison to nikethamide

✍ Scribed by Larry S. Rosenthal; Eileen Curran; John W. Bean; Donald J. Nelson

Book ID
115780922
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
859 KB
Volume
38
Category
Article
ISSN
0006-2952

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πŸ“œ SIMILAR VOLUMES

Calculations of the barrier to internal
Calculations of the barrier to internal rotation in ethyl flouride: A comparison with ethane
✍ William E. Palke πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 406 KB

Sasis sets. Minimum basis set calculations predict the barrier in ethyl fluoride to be 0.5 kcd/mole smaller than the ethzne barrier. Extended basjs set cdcufations give barriers of 3.4 and 3.3 kcal/mole for ethyl fluoride and ethane. These results are in better ;igrecment with the espcrimcntal value