Structure, kinetics, and thermodynamics of the aqueous uranyl(VI) cation

Journal of Physical Chemistry A

Volumn 117, Issue 30, 2013, Pages 6421-6432

  Kerisit, Sebastien ^a   Liu, Chongxuan ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATIVE INTERCHANGE MECHANISM; FREE ENERGY OF HYDRATION; HYDRATION SHELL STRUCTURE; MOLECULAR DYNAMICS SIMULATIONS; SELF-DIFFUSION COEFFICIENTS; THERMODYNAMIC INTEGRATION; TRANSITION PATH SAMPLING; WATER EXCHANGE REACTIONS;

BINDING ENERGY; DIFFUSION; FORECASTING; FREE ENERGY; HYDRATION; MOLECULAR DYNAMICS; POSITIVE IONS; THERMODYNAMICS; URANIUM; URANIUM ALLOYS;

COMPUTER SIMULATION;

EID: 84881182944     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp404594p     Document Type: Article

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