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Barrier to Internal Rotation in Ethane

โœ Scribed by Clementi, E.


Book ID
121304329
Publisher
American Institute of Physics
Year
1966
Tongue
English
Weight
717 KB
Volume
45
Category
Article
ISSN
0021-9606

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๐Ÿ“œ SIMILAR VOLUMES


Calculations of the barrier to internal
โœ William E. Palke ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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