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The effects of lone pairs on charge distribution in the tetracyclic norbornyl derivatives

✍ Scribed by J.W. De M. Carneiro; Peter Rudolf Seidl; Jose Glauco R. Tostes; C.A. Taft; B.L. Hammond; M.M. Soto; W.A. Lester Jr.

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 397 KB
Volume: 202
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85278-v

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✦ Synopsis

Ab initio and MM2 calculations are used to investigate charge distributions in different conformations of the hydroxyl groups in unsaturated alcohols containing norbomyl units. The calculated net atomic charges indicate that hydrogens as well as carbons lying between oxygen lone pairs become more positively charged.

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