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A study of the ethane internal rotation barrier

✍ Scribed by Philip A. Christiansen; William E. Palke

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
565 KB
Volume
31
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 product wavefunctions were determined.

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πŸ“œ SIMILAR VOLUMES

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