Can QTAIM topological parameters be a measure of hydrogen bonding strength?

Journal of Physical Chemistry A

Volumn 116, Issue 21, 2012, Pages 5240-5246

  Mo, Yirong ^a  

^a WESTERN MICHIGAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BOND CRITICAL POINTS; COOPERATIVITY; EFFECTIVE MEASURES; ELECTRON DELOCALIZATION; HYDROGEN BONDING INTERACTIONS; HYDROGEN-BONDING STRENGTH; INTRAMOLECULAR HYDROGEN BONDING; QUANTUM THEORY OF ATOMS IN MOLECULES; RESONANCE-ASSISTED HYDROGEN BONDS; TOPOLOGICAL PARAMETERS; TOPOLOGICAL PROPERTIES; VALENCE BOND THEORY;

DIFFUSION BONDING; QUANTUM COMPUTERS; QUANTUM THEORY; TOPOLOGY;

HYDROGEN BONDS;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 84861730300     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3029769     Document Type: Article

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