A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle

Journal of Chemical Physics

Volumn 117, Issue 20, 2002, Pages 9175-9189

  Chelli, Riccardo ^a,b   Procacci, Piero ^a,b  

^a UNIVERSITY OF FLORENCE   (Italy)

^b UNIVERSITY OF FLORENCE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; CONFORMATIONS; ELECTRON TRANSITIONS; ELECTRONIC PROPERTIES; ELECTROSTATICS; HARDNESS; ISOMERIZATION; MATHEMATICAL MODELS; MOLECULES; NUCLEAR PROPERTIES; ORGANIC COMPOUNDS; POLARIZATION;

CHEMICAL POTENTIAL EQUALIZATION PRINCIPLE; ELECTROSTATIC FORCE FIELD; MOLECULAR CONFORMATIONS; MOLECULAR HARDNESS; MOLECULAR SYSTEM; PARAMETERIZATION;

MOLECULAR DYNAMICS;

EID: 0037159995     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1515773     Document Type: Article

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