Estimating errors in free energy calculations from thermodynamic integration using fitted data

Journal of Chemical Physics

Volumn 129, Issue 21, 2008, Pages

  De Miguel, Enrique ^a  

^a UNIVERSITY OF HUELVA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; THERMODYNAMICS;

ENERGY CALCULATIONS; ENERGY VALUES; FIRST ORDERS; FREEZING TRANSITIONS; HARD SPHERES; SIMULATION DATUMS; SIZE EFFECTS; STANDARD DEVIATIONS; STATISTICAL UNCERTAINTIES; SYNTHETIC DATA SETS;

UNCERTAINTY ANALYSIS;

EID: 57349121301     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3023062     Document Type: Article

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