Reactive scattering of highly vibrationally excited oxygen molecules: Ozone formation?

A new ab initio potential energy surface based on an internally contracted multireference configuration-interaction wave function is constructed for the O2(X 3Σ-g,ν)+O2(X 3Σ-g,ν=0) →O3(X 1A1)+O(3P) reaction with ν>20. The vibrational state-to-state reaction probabilities are calculated with a...

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Príomhchruthaitheoirí: Lauvergnat, D, Clary, D
Formáid: Journal article
Teanga:English
Foilsithe / Cruthaithe: 1998