Cover Image, Volume 35, Issue 20 | Zendy

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Cover Image, Volume 35, Issue 20

Publication year - 2014

Publication title -

journal of computational chemistry

Language(s) - English

Resource type - Reports

SCImago Journal Rank - 0.907

H-Index - 188

eISSN - 1096-987X

pISSN - 0192-8651

DOI - 10.1002/jcc.23667

Subject(s) - steric effects , cover (algebra) , natural bond orbital , dominance (genetics) , biphenyl , citation , chemistry , computer science , information retrieval , library science , computational chemistry , stereochemistry , density functional theory , engineering , organic chemistry , mechanical engineering , biochemistry , gene

Frank A. Weinhold et al. report on page 1499 (DOI: 10.1002/jcc.23654 ) that quantitative NBO‐based evaluations of steric (left) and hyperconjugative (right) interactions in the illustrative model cis ‐2‐butene demonstrate the dominance of steric repulsions over attractive ′H‐H bonding′ in biphenyl and related species, contrary to inferences based on QTAIM analysis.

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