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Origin and Nature of Bond Rotation Barriers: A Unified View

✍ Scribed by Liu, Shubin

Book ID
118271729
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
981 KB
Volume
117
Category
Article
ISSN
1089-5639

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The Boys-Reeves Cl algorithm has been applied in a CNDO/?. framework to study the bonding in the cyclopropylmethyi cation. 1n:erpretive use is made of the fact that the CI algorithm is identical to a v;llence bond calculation except for the restriction to orthonormal one-electron orbit&. A pseudo-n