Aqueous solvation of As (OH)3: A Monte Carlo study with flexible polarizable classical interaction potentials

Journal of Chemical Physics

Volumn 133, Issue 11, 2010, Pages

  Hernandez Cobos J ^a   Vargas, M Cristina ^b   Ramirez Solis A ^c   Ortega Blake, I ^a  

^a INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

^b CINVESTAV Unidad rida   (Mexico)

^c UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; AMPHIPATHIC MOLECULES; AQUEOUS SOLVATION; CONDENSED PHASE; ELECTROSTATIC POTENTIALS; EXPERIMENTAL EVIDENCE; HYDRATION PROCESS; INTERACTION POTENTIALS; LONE PAIR; MODEL POTENTIAL; MOLECULAR RELAXATION; MONTE CARLO SIMULATION; MONTE CARLO STUDY; NONADDITIVITY; POLARIZABILITIES; THEORETICAL STUDY;

COMPUTER SIMULATION; HYDRATION;

MONTE CARLO METHODS;

EID: 77956975935     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3483619     Document Type: Article

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