QUANTUM AND QUASI-CLASSICAL CALCULATIONS ON THE OH+CO-]CO2+H REACTION

QUANTUM AND QUASI-CLASSICAL CALCULATIONS ON THE OH+CO-]CO2+H REACTION

Scattering calculations on the OH+CO→CO2+H reaction are reported using both quantum and quasiclassical methods. The rotating bond approximation is used in the quantum calculations. This method explicitly treats the OH vibration and CO rotation in the reactants and the bending vibration and a local C...

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Dettagli Bibliografici
Autori principali:	Clary, D, Schatz, G
Natura:	Journal article
Pubblicazione:	1993

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