How resonance assists hydrogen bonding interactions: An energy decomposition analysis

Journal of Computational Chemistry

Volumn 28, Issue 1, 2007, Pages 455-466

  Beck, John Frederick ^a   Mo, Yirong ^a  

^a WESTERN MICHIGAN UNIVERSITY   (United States)

Author keywords

Block localized wave function; Electrostatic interaction; Resonance assisted binding; Resonance assisted hydrogen binding

Indexed keywords

BLOCK LOCALIZED WAVE FUNCTION; ELECTROSTATIC INTERACTION; RESONANCE ASSISTED BINDING; RESONANCE ASSISTED HYDROGEN BINDING;

CARBOXYLIC ACIDS; DECOMPOSITION; ETHANOL; FORMALDEHYDE; RESONANCE;

HYDROGEN BONDS;

AMIDE; CARBOXYLIC ACID; FORMALDEHYDE; PYRIMIDINE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; HYDROGEN BOND; MOLECULAR COMPUTER;

AMIDES; CARBOXYLIC ACIDS; COMPUTERS, MOLECULAR; DIMERIZATION; FORMALDEHYDE; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRIMIDINES;

EID: 33846566926     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20523     Document Type: Article

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