Simulation of Ca2+ and Mg2+ solvation using polarizable atomic multipole potential

Journal of Physical Chemistry B

Volumn 110, Issue 37, 2006, Pages 18553-18559

  Jiao, Dian ^a   King, Christopher ^a   Grossfield, Alan ^b   Darden, Thomas A ^c   Ren, Pengyu ^a  

^a The University of Texas at Austin   (United States)

^b IBM T J WATSON RESEARCH CENTER   (United States)

^c NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM; COMPUTER SIMULATION; ELECTROSTATICS; FREE ENERGY; MAGNESIUM PRINTING PLATES; POSITIVE IONS; QUANTUM THEORY;

BIOMOLECULAR PROCESSES; ELECTROSTATIC INTERACTIONS; QUANTUM MECHANICAL CALCULATION; SOLVATION;

REACTION KINETICS;

CALCIUM; ION; MAGNESIUM; OXYGEN; POTASSIUM; SODIUM; SOLVENT; WATER;

ARTICLE; CHEMISTRY; DIMERIZATION; ELECTRICITY; ELECTROCHEMISTRY; METHODOLOGY; PHYSICAL CHEMISTRY; THERMODYNAMICS; TIME;

CALCIUM; CHEMISTRY, PHYSICAL; DIMERIZATION; ELECTROCHEMISTRY; ELECTROSTATICS; IONS; MAGNESIUM; OXYGEN; POTASSIUM; SODIUM; SOLVENTS; THERMODYNAMICS; TIME FACTORS; WATER;

EID: 33749646478     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp062230r     Document Type: Article

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