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Theoretical Analysis of the Rotational Barrier of Ethane

โœ Scribed by Mo, Yirong; Gao, Jiali

Book ID
118023576
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
203 KB
Volume
40
Category
Article
ISSN
0001-4842

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โœ Yirong Mo; Jiali Gao ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons โš– 11 KB ๐Ÿ‘ 2 views

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A study of the ethane internal rotation
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In an effort to deduce the source of the.cttine internalrotation barrier, we have investigated the contributions of exchange energy and orthogonzlity: ti4io effects that are required by the Pauli principle. Fully ~tisymm~~~e~, ~partially antisymmctrizcd and non-anti;:?nmetrized optimized orbital pro