Computation of methodology-independent ionic solvation free energies from molecular simulations. II. the hydration free energy of the sodium cation

Journal of Chemical Physics

Volumn 124, Issue 22, 2006, Pages

  Kastenholz, Mika A ^a   Hünenberger, Philippe H ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; COMPUTATION THEORY; COMPUTER SIMULATION; CRYSTAL LATTICES; ELECTROSTATICS; HYDRATION; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; POLARIZATION; SOLVENT EXTRACTION;

ELECTROSTATIC INTERACTIONS; LIQUID-VACUUM INTERFACES; MOLECULAR SIMULATIONS; SOLVATION FREE ENERGIES;

FREE ENERGY;

CATION; ION; SODIUM; WATER;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; ELECTRICITY; METHODOLOGY; PHYSICAL CHEMISTRY; REPRODUCIBILITY; STATISTICAL MODEL; TEMPERATURE; THEORETICAL MODEL; THERMODYNAMICS;

CATIONS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; ELECTROSTATICS; IONS; MODELS, STATISTICAL; MODELS, THEORETICAL; REPRODUCIBILITY OF RESULTS; SODIUM; SOFTWARE; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 33745155379     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2201698     Document Type: Article

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