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Role of Lone-Pairs in Internal Rotation Barriers

✍ Scribed by Pophristic, Vojislava; Goodman, Lionel; Guchhait, Nikhil

Book ID
125505674
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
223 KB
Volume
101
Category
Article
ISSN
1089-5639

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We apply natural bond orbital NBO steric analysis introduced in a . previous article to obtain the steric exchange contribution to the internal rotation barriers Ε½ . of butane, ethane, and other related molecules CH NH , CH OH, NH OH . The 3 2 3 2 expected exchange repulsion between the two methyl