Transition path sampling of water exchange rates and mechanisms around aqueous ions

Journal of Chemical Physics

Volumn 131, Issue 11, 2009, Pages

  Kerisit, Sebastien ^a   Rosso, Kevin M ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION VOLUME; ASSOCIATIVE INTERCHANGE MECHANISM; DIRECT MOLECULAR DYNAMICS; DIRECT SIMULATION; EXCHANGE RATES; EXCHANGE REACTION; EXPERIMENTAL DATA; MECHANISTIC INTERPRETATIONS; MOLECULAR SIMULATIONS; POTENTIAL OF MEAN FORCE; PRESSURE DEPENDENCE; REACTIVE FLUX; REACTIVE FLUX METHOD; REACTIVE TRAJECTORIES; ROBUST MODELING; SODIUM IONS; SODIUM POTENTIAL; TRANSITION PATH SAMPLING; TRANSITION PATHWAY; WATER EXCHANGE; WATER EXCHANGE RATES;

KINETIC THEORY; METAL IONS; MOLECULAR DYNAMICS; REACTION KINETICS; SIMULATORS;

ION EXCHANGE;

EID: 72949103238     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3224737     Document Type: Article

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