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Journal of Chemical Physics

Volumn 116, Issue 13, 2002, Pages 5633-5642

Ab initio study of the reaction mechanism of CO2 with Ti atom in the ground and excited electronic states

(2) Hwang, Der Yan a Mebel, Alexander M b

a TAMKANG UNIVERSITY (Taiwan)

b INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CARBON DIOXIDE; CATALYSIS; DISSOCIATION; ELECTRON TRANSITIONS; ELECTRONIC DENSITY OF STATES; GROUND STATE; MOLECULAR VIBRATIONS; NATURAL FREQUENCIES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; TITANIUM;

GROUND STATE REACTIONS; POTENTIAL ENERGY SURFACES (PES);

SURFACE REACTIONS;

EID: 0036536072 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1453954 Document Type: Article

Times cited : (24)

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