Modified Wolf electrostatic summation: Incorporating an empirical charge overlap

Molecular Simulation

Volumn 31, Issue 11, 2005, Pages 739-748

  Ma, Y ^a   Garofalini, S H ^a  

^a The State University of New Jersey   (United States)

Author keywords

Covalent systems; Electrostatic interactions; Molecular simulations; Wolf sum

Indexed keywords

COMPUTER SIMULATION; ELECTRIC CHARGE; ELECTROSTATICS; ERROR ANALYSIS; NUMERICAL ANALYSIS; SILICA; TIME VARYING SYSTEMS;

COVALENT SYSTEMS; ELECTROSTATIC INTERACTIONS; MOLECULAR SIMULATION; WOLF SUM;

MOLECULAR DYNAMICS;

EID: 25444431509     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020500262598     Document Type: Article

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