An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water

Journal of Chemical Physics

Volumn 122, Issue 4, 2005, Pages

  Takahashi, Hideaki ^a   Satou, Wataru ^a   Hori, Takumi ^a   Nitta, Tomoshige ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

IONIC DISSOCIATION; MOLECULAR MECHANICAL (MM); QUANTUM MECHANICAL; SOLUTE;

DEGREES OF FREEDOM (MECHANICS); DISSOCIATION; ENTROPY; FREE ENERGY; HYDRATION; QUANTUM THEORY; SOLVENTS; SUPERCRITICAL FLUIDS;

MOLECULES;

EID: 22944491213     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1839858     Document Type: Article

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