Study of the C(3P) + OH(X2II) → CO(X 1Σg+) + H(2S) reaction: A fully global ab initio potential energy surface of the X2A′ state

Journal of Physical Chemistry A

Volumn 110, Issue 43, 2006, Pages 12017-12025

  Zanchet, Alexandre ^a   Bussery Honvault, Beatrice ^a   Honvault, Pascal ^a  

^a CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; DISSOCIATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ISOMERIZATION; POTENTIAL ENERGY;

COMPLETE ACTIVE SPACE (CAS); DAVIDSON CORRECTION; MULTIREFERENCE (MR); SINGLE AND DOUBLE CONFIGURATION INTERACTION (SDCI);

REACTION KINETICS;

CARBON; CARBON MONOXIDE; HYDROGEN; HYDROXIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ENERGY TRANSFER; QUANTUM THEORY; SURFACE PROPERTY;

CARBON; CARBON MONOXIDE; ENERGY TRANSFER; HYDROGEN; HYDROXIDES; MODELS, CHEMICAL; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 33751327971     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp064352p     Document Type: Article

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