The origins of the directionality of noncovalent intermolecular interactions

Journal of Computational Chemistry

Volumn 37, Issue 1, 2016, Pages 34-45

  Wang, Changwei ^a   Guan, Liangyu ^b   Danovich, David ^c   Shaik, Sason ^c   Mo, Yirong ^b  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b WESTERN MICHIGAN UNIVERSITY   (United States)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

block localized wavefunction; directionality; energy decomposition analysis; noncovalent bond; hole

Indexed keywords

BINS; CHARGE TRANSFER; COMPLEXATION; ELECTROSTATIC FORCE; ELECTROSTATICS; HYDROGEN BONDS;

CHARGE TRANSFER INTERACTION; DIRECTIONALITY; ELECTROSTATIC ATTRACTIONS; ENERGY DECOMPOSITION ANALYSIS; INTERMOLECULAR DISTANCE; INTERMOLECULAR INTERACTIONS; NON-COVALENT BONDINGS; NONCOVALENT BOND;

BINDING ENERGY;

EID: 84930013810     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23946     Document Type: Article

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