Cepa calculations of potential energy surfaces for open-shell systems. I. The reaction of O(3P) with H2(1Σg+)
- 1 August 1981
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 59 (3) , 373-385
- https://doi.org/10.1016/0301-0104(81)85179-8
Abstract
No abstract availableThis publication has 31 references indexed in Scilit:
- A theoretical study of the potential energy surface for O(3P)+H2The Journal of Chemical Physics, 1980
- Extended basis first-order CI study of the 1A′, 3A″, 1A″, and B̃ 1A′ potential energy surfaces of the O(3P,1D)+H2(1Σg+) reactionThe Journal of Chemical Physics, 1979
- Trajectory study of O+H2 reactions on fitted a b i n i t i o surfaces I: Triplet caseThe Journal of Chemical Physics, 1979
- The effect of vibrational excitation on the reaction of O(3P) with H2 and the distribution of vibrational energy in the product OHThe Journal of Chemical Physics, 1978
- Classical trajectory study of the effect of vibrational energy on the reaction of molecular hydrogen with atomic oxygenThe Journal of Chemical Physics, 1977
- The effect of vibrational energy on the reaction of molecular hydrogen with atomic oxygenChemical Physics Letters, 1975
- Study of the Potential Surfaces of the Ground and First Excited Singlet States of H2OThe Journal of Chemical Physics, 1971
- Theoretical investigations of the chemistry of singlet and triplet species. I. Insertion and abstraction reactionsJournal of the American Chemical Society, 1971
- Reinvestigation of the Rate Coefficients for O + H2 and O + CH4The Journal of Chemical Physics, 1969
- Atom—Molecule Kinetics Using ESR Detection. III. Results for O+D2→OD+D and Theoretical Comparison with O+H2→OH+HThe Journal of Chemical Physics, 1967