Limitations of the molecular multipole expansion treatment of electrostatic interactions for C-H⋯O and O-H⋯O hydrogen bonds and application of a general charge density approach

Journal of Physical Chemistry A

Volumn 109, Issue 25, 2005, Pages 5608-5618

  Qian, Weili ^a   Krimm, Samuel ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC IMPACT; INTERACTION ENERGY; MOLECULAR MULTIPOLE EXPANSION TREATMENT; REHYBRIDIZATION;

CARRIER CONCENTRATION; CHARGE TRANSFER; COMPLEXATION; ELECTRIC FIELD EFFECTS; ELECTROSTATICS; METHANE;

HYDROGEN BONDS;

EID: 22744447624     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp040683v     Document Type: Article

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