Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field

Journal of Chemical Physics

Volumn 132, Issue 2, 2010, Pages

  Li, Arvin Huang Te ^a   Huang, Shou Cheng ^a   Chao, Sheng D ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; APRIORI; BASIS SETS; DUNNING'S CORRELATION; EXPERIMENTAL CONDITIONS; EXPERIMENTAL DATA; FORCE FIELDS; HARTREE-FOCK; INTERMOLECULAR INTERACTION POTENTIALS; LIQUID CARBON; MEDIUM SIZE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; PERTURBATION THEORY; QUANTITATIVE AGREEMENT; RADIAL DISTRIBUTION FUNCTIONS; SECOND ORDERS; SELF-DIFFUSION COEFFICIENTS; SIMULATION RESULT;

CARBON TETRACHLORIDE; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES;

DISTRIBUTION FUNCTIONS;

EID: 74549200380     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3293129     Document Type: Article

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