Development of a knowledge-based potential for crystals of small organic molecules: Calculation of energy surfaces for C=0⋯H-N hydrogen bonds

Journal of Physical Chemistry B

Volumn 104, Issue 31, 2000, Pages 7293-7298

  Grzybowski, Bartosz A ^a   Ishchenko, Alexey V ^a   Dewitte, Robert S ^a   Whitesides, George M ^a   Shakhnovich, Eugene I ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; OXYGEN; STATISTICAL MECHANICS;

KNOWLEDGE-BASED POTENTIAL;

MOLECULAR CRYSTALS;

EID: 0034248140     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000644t     Document Type: Article

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