Ab initio study of the potential energy surface for the OH+CO→H+CO2 reaction

Journal of Chemical Physics

Volumn 125, Issue 9, 2006, Pages

  Song, Xinli ^a   Li, Jicun ^a   Hou, Hua ^a   Wang, Baoshan ^a  

^a WUHAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; CARBON DIOXIDE; CARBON MONOXIDE; COMPUTATIONAL METHODS; CORRELATION THEORY; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

H+CO2; MULTIREFERENCE CONFIGURATION INTERACTION METHODS; OH+CO; POTENTIAL ENERGY SURFACES;

SURFACE PHENOMENA;

EID: 33748555259     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2347711     Document Type: Article

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