Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer

Journal of Computational Chemistry

Volumn 28, Issue 1, 2007, Pages 276-291

  Slipchenko, Lyudmila V ^a   Gordon, Mark S ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

Benzene benzene; Dispersion; EFP; Electrostatic screening

Indexed keywords

DISTRIBUTED MULTIPOLE ANALYSIS (DMA); EFFECTIVE FRAGMENT POTENTIAL (EFP); ELECTROSTATIC SCREENING;

BENZENE; DAMPING; ELECTROSTATICS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; SCREENING;

DIMERS;

BENZENE DERIVATIVE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; ELECTRICITY; THEORETICAL MODEL;

ALGORITHMS; BENZENE DERIVATIVES; COMPUTER SIMULATION; DIMERIZATION; ELECTROSTATICS; MODELS, CHEMICAL; MODELS, THEORETICAL;

EID: 33846588840     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20520     Document Type: Article

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