Classical molecular-dynamics simulation of the hydroxyl radical in water

Journal of Chemical Physics

Volumn 123, Issue 8, 2005, Pages

  Campo, Mario G ^a   Grigera, J Raul ^b  

^a UNIVERSIDAD NACIONAL DE LA PAMPA   (Argentina)

^b Instituto de Fisica de Liquidos y Sistemas Biologicos   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIFFUSION; HYDROGEN BONDS; MOLECULAR DYNAMICS; SOLVENTS; WATER;

ANGULAR DISTRIBUTION FUNCTIONS; ATOMIC RADIAL DISTRIBUTION FUNCTIONS; HYDROXYL RADICALS; WATER MOLECULES;

FREE RADICALS;

HYDROGEN; HYDROXYL RADICAL; ION; OXYGEN; SOLVENT; WATER;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; METHODOLOGY; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL;

ALGORITHMS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; HYDROGEN; HYDROGEN BONDING; HYDROXYL RADICAL; IONS; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; OXYGEN; SOLVENTS; WATER;

EID: 24644440081     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2013253     Document Type: Article

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