Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: Application to liquid argon and water

Journal of Chemical Physics

Volumn 121, Issue 22, 2004, Pages 10889-10904

  White, Ronald P ^a   Meirovitch, Hagai ^a  

^a UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYPOTHETICAL SCANNING (HS) METHOD; LENNAR-JONES SYSTEMS; THERMODYNAMIC INTEGRATION (TI) TECHNIQUES; TRANSITION PROBABILITY;

APPROXIMATION THEORY; ARGON; BOUNDARY VALUE PROBLEMS; ENTROPY; INTEGRATION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY; THERMODYNAMICS; WATER;

FREE ENERGY;

ARGON; WATER;

ARTICLE; BIOPHYSICS; CHEMISTRY; ENTROPY; METHODOLOGY; MONTE CARLO METHOD; NORMAL DISTRIBUTION; STATISTICAL MODEL; STATISTICS; THEORETICAL MODEL; THERMODYNAMICS;

ARGON; BIOPHYSICS; ENTROPY; MODELS, STATISTICAL; MODELS, THEORETICAL; MONTE CARLO METHOD; NORMAL DISTRIBUTION; STOCHASTIC PROCESSES; THERMODYNAMICS; WATER;

EID: 11144269103     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1814355     Document Type: Article

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