Estimating entropies from molecular dynamics simulations

Journal of Chemical Physics

Volumn 120, Issue 6, 2004, Pages 2652-2661

  Peter, Christine ^a   Oostenbrink, Chris ^a   Van Dorp, Arthur ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ENTHALPY; ENTROPY; FREE ENERGY; HAMILTONIANS; HYDROPHOBICITY; INTEGRAL EQUATIONS; KINETIC ENERGY; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; SOLVENTS; STATISTICAL METHODS;

SIMPLE POINT CHARGE (SPC); THERMODYNAMIC INTEGRATION;

MOLECULAR DYNAMICS;

EID: 1542531903     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1636153     Document Type: Article

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