Ab initio quantum mechanics analysis of imidazole c-h…o water hydrogen bonding and a molecular mechanics forcefield correction

Journal of Biomolecular Structure and Dynamics

Volumn 14, Issue 6, 1997, Pages 657-665

  Ornstein, Rick L ^a   Zheng, Ya Jun ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; BENZENE; ETHYLENE; HYDROGEN; IMIDAZOLE; METHANE; WATER;

ARTICLE; CALCULATION; COMPLEX FORMATION; GEOMETRY; HYDROGEN BOND; PRIORITY JOURNAL; QUANTUM MECHANICS;

EID: 0030919775     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.1997.10508169     Document Type: Article

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