Hybrid MC-DFT method for studying multidimensional entropic forces

Journal of Physical Chemistry B

Volumn 115, Issue 6, 2011, Pages 1450-1460

  Jin, Zhehui ^a   Wu, Jianzhong ^a  

^a University of California Riverside   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; SPHERES; THERMODYNAMICS;

ASYMMETRIC PARTICLES; COMPLEX MOLECULAR SYSTEMS; CONCAVE OBJECTS; DFT METHOD; DIMENSIONAL FUNCTIONS; EFFICIENT COMPUTATION; HARD-SPHERE SOLVENTS; HYBRID METHOD; LOCK-AND-KEY; MICROSCOPIC CONFIGURATION; MOLECULAR MODELS; MONTE CARLO SIMULATION; MULTIDIMENSIONAL SYSTEMS; PARTICLE SIZE AND SHAPE; POTENTIAL OF MEAN FORCE; SOLUTION THERMODYNAMICS; TEST PARTICLES; THEORETICAL STUDY;

MONTE CARLO METHODS;

EID: 79951548761     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp110066z     Document Type: Article

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