Development of an accurate and robust polarizable molecular mechanics force field from ab initio quantum chemistry

Journal of Physical Chemistry A

Volumn 108, Issue 4, 2004, Pages 621-627

  Kaminski, George A ^a,b   Stern, Harry A ^a   Berne, B J ^a   Friesner, Richard A ^a  

^a Och Spine at New York Presbyterian Hospitals   (United States)

^b CENTRAL MICHIGAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; HYDROPHILICITY; HYDROPHOBICITY; MOLECULES; NUCLEIC ACIDS; PROTEINS; QUANTUM THEORY; VAPORIZATION;

ELECTRONIC POLARIZATION EFFECTS; ELECTROSTATIC CHARGE DISTRIBUTION; FIXED CHARGE FORCE FIELDS; GAS-PHASE INTERMOLECULAR INTERACTION ENERGIES; HEATS OF VAPORIZATION; POLARIZABLE FORCE FIELD;

MOLECULAR DYNAMICS;

EID: 0442311067     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0301103     Document Type: Article

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