A one-site polarizable model for liquid chloroform: COS/C

Molecular Physics

Volumn 108, Issue 13, 2010, Pages 1749-1757

  Lin, Zhixiong ^a,b   Kunz, Anna Pitschna ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

charge on spring; chloroform; liquid model; molecular dynamics; polarizable force field

Indexed keywords

BIO-MOLECULAR; CARBON ATOMS; CHARGE-ON-SPRING; CHLOROFORM; COMPUTATIONAL COSTS; ELECTRIC FIELD STRENGTH; FORCE FIELDS; GASPHASE; LENNARD-JONES PARAMETERS; LIQUID MODELS; MODEL-BASED; PARTIAL CHARGES; POINT CHARGE; POLARIZABLE FORCE FIELD; POLARIZABLE LIQUID; POLARIZABLE MODEL; VAN DER WAALS;

CHLORINE COMPOUNDS; COMPUTER SIMULATION; DIELECTRIC PROPERTIES; ELECTRIC FIELDS; MOLECULAR DYNAMICS; VAN DER WAALS FORCES;

LIQUIDS;

EID: 77954643734     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.489527     Document Type: Article

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