Bay-type H⋯H "bonding" in cis-2-butene and related species: QTAIM versus NBO description

Journal of Computational Chemistry

Volumn 35, Issue 20, 2014, Pages 1499-1508

  Weinhold, Frank ^a   Schleyer, Paul Von Ragué ^b   McKee, William Chadwick ^b  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

bond critical point; chemical bonding; hyperconjugation; natural bond orbital theory; quantum theory of atoms in molecules theory; steric repulsion

Indexed keywords

CHEMICAL BONDS; QUANTUM THEORY;

BOND CRITICAL POINTS; CHEMICAL BONDINGS; HYPERCONJUGATION; NATURAL BOND ORBITAL; QUANTUM THEORY OF ATOMS IN MOLECULES; STERIC REPULSIONS;

BUTENES;

EID: 84903303953     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23654     Document Type: Article

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