An ab initio study of the reaction betwe
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Joseph S. Franciso; Yi Su
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Article
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1993
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Elsevier Science
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English
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Ab initio calculations are used to examine the energetics for the reaction of FO radicals and H,O. Optimized geometries have been calculated for all reactants, transition states, and products at the unrestricted second-order Msller-Plesset perturbation level of theory. Both Msller-Plesset perturbati