On the origin of potential barrier for the reaction OH- + CO2 → HCO3- in water: Studies by using continuum and cluster solvation methods

Journal of Physical Chemistry B

Volumn 106, Issue 7, 2002, Pages 1734-1740

  Nemukhin, Alexander V ^b   Topol, Igor A ^a   Grigorenko, Bella L ^b   Burt, Stanley K ^a  

^a SAIC FREDERICK INC   (United States)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM CHEMISTRY;

APPROXIMATION THEORY; CHEMICAL BONDS; DIELECTRIC MATERIALS; FREE ENERGY; HYDRATION; MOLECULAR DYNAMICS; NEGATIVE IONS; QUANTUM THEORY; WATER;

REACTION KINETICS;

EID: 0037149089     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0141629     Document Type: Article

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