Quasichemical and structural analysis of polarizable anion hydration

Journal of Chemical Physics

Volumn 132, Issue 1, 2010, Pages

  Rogers, David M ^a,b   Beck, Thomas L ^a  

^a UNIVERSITY OF CINCINNATI   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BULK WATER; ELECTROSTATIC EFFECT; FIRST-ORDER; FORCE FIELDS; GAUSSIAN BEHAVIOR; HARD-SPHERE; HOFMEISTER SERIES; HYDRATION FREE ENERGIES; ION HYDRATION; ION SIZE; ION SPECIFICITY; ION-DIPOLE; MEAN-FIELD TREATMENTS; POLARIZABILITIES; QUANTUM-MECHANICAL STUDY; QUASI-CHEMICAL; QUASI-CHEMICAL THEORY; RADIAL DISTRIBUTION FUNCTIONS; SALT HYDRATION; SOLVATION FREE ENERGIES; VAN DER WAALS; VAN DER WAALS CONTRIBUTION; WATER DIPOLES;

ANISOTROPY; DISTRIBUTION FUNCTIONS; ELECTRIC DIPOLE MOMENTS; ELECTROSTATICS; FREE ENERGY; NEGATIVE IONS; OXYGEN; POLARIZATION; QUANTUM THEORY; SHELLS (STRUCTURES); SOLVATION; STRUCTURAL ANALYSIS; SURFACE SEGREGATION; VAN DER WAALS FORCES;

HYDRATION;

ANION; BROMIDE; CHLORIDE; IODIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMICS;

ANIONS; BROMIDES; CHLORIDES; IODIDES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; QUANTUM THEORY; THERMODYNAMICS;

EID: 75749143892     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3280816     Document Type: Article

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