Cut-off radius effect of the isotropic periodic sum method for polar molecules in a bulk water system

Molecular Simulation

Volumn 38, Issue 5, 2012, Pages 397-403

  Takahashi, Kazuaki ^a   Narumi, Tetsu ^b   Yasuoka, Kenji ^a  

^a KEIO UNIVERSITY   (Japan)

^b UNIVERSITY OF ELECTRO COMMUNICATIONS   (Japan)

Author keywords

cut off method; long range interaction; molecular dynamics simulation

Indexed keywords

BULK WATER; CUT-OFF METHODS; DIPOLE-DIPOLE CORRELATION; HOMOGENEOUS SYSTEM; ISOTROPIC PERIODIC SUM METHODS; LIQUID STRUCTURES; LONG RANGE INTERACTIONS; LONG-RANGE INTERACTION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; POLAR MOLECULES; RADIAL DISTRIBUTION FUNCTIONS; REACTION FIELDS; SELF-DIFFUSION COEFFICIENTS; SWITCH FUNCTION; TRANSPORT COEFFICIENT;

LIQUIDS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; SWITCHING SYSTEMS; WATERWORKS;

PERIODIC STRUCTURES;

EID: 80855159115     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2010.547857     Document Type: Conference Paper

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