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Ab initio studies of the structure and thermochemistry of FO radicals

โœ Scribed by Yao Zhao; Joseph S. Francisco


Book ID
107734924
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
496 KB
Volume
167
Category
Article
ISSN
0009-2614

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An ab initio study of the reaction betwe
โœ Joseph S. Franciso; Yi Su ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 359 KB

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