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Journal of Chemical Physics

Volumn 114, Issue 12, 2001, Pages 5216-5223

Theoretical study of the water activation by a cobalt cation: Ab initio multireference theory versus density functional theory

(3) Nakao, Yoshihide a Hirao, Kimihiko a Taketsugu, Tetsuya b

a UNIVERSITY OF TOKYO (Japan)

b OCHANOMIZU UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; BINDING ENERGY; COBALT; POSITIVE IONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SURFACE CHEMISTRY; WATER;

WATER ACTIVATION;

MOLECULAR DYNAMICS;

EID: 0035932151 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1336568 Document Type: Article

Times cited : (10)

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