Improving the point-charge description of hydrogen bonds by adaptive force matching

Journal of Physical Chemistry B

Volumn 113, Issue 5, 2009, Pages 1237-1240

  Akin Ojo, Omololu ^a   Wang, Feng ^a  

^a Boston University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; DISTRIBUTION FUNCTIONS; HYDROGEN; X RAY DIFFRACTION;

CHARGE SEPARATIONS; FORCE FIELD MODELS; FORCE FIELDS; FORCE MATCHING; FORCE MATCHING METHODS; LENNARD JONES; LIQUID WATERS; NEAREST NEIGHBORS; POINT CHARGES; POINT-CHARGE MODELS; RADIAL DISTRIBUTION FUNCTIONS; REPULSION INTERACTIONS; SHORT-RANGE REPULSIONS; X-RAY DIFFRACTION DATUM;

HYDROGEN BONDS;

EID: 61949225014     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809324x     Document Type: Article

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