Geometry optimization of the ring-opened oxirane diradical: mechanism of the addition reaction of the triplet oxygen atom to olefins
- 15 February 1980
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 70 (1) , 27-30
- https://doi.org/10.1016/0009-2614(80)80053-4
Abstract
No abstract availableThis publication has 19 references indexed in Scilit:
- Energy gradient in a multi-configurational SCF formalism and its application to geometry optimization of trimethylene diradicalsChemical Physics Letters, 1979
- Relaxation in torsional motion of triplet oxiraneChemical Physics Letters, 1979
- Electron correlation theories and their application to the study of simple reaction potential surfacesInternational Journal of Quantum Chemistry, 1978
- Geometry optimizations of unstable intermediates by the generalized hartree-fock (GHF) methodChemical Physics Letters, 1978
- GEOMETRY OPTIMIZATIONS OF 1,3-DIRADICALS: RING-OPENED AZIRIDINE AND ETHYLENE OXIDEChemistry Letters, 1977
- MNDO study of ozone and its decomposition into (O2 + 0)Chemical Physics Letters, 1977
- Efficient determination and characterization of transition states using ab-initio methodsChemical Physics Letters, 1977
- A comparative molecular orbital study on the low lying singlet and triplet states of ethylene oxideTheoretical Chemistry Accounts, 1975
- Mechanistic characterization of the thermal ring-opening of three-membered cyclic compoundsChemical Physics Letters, 1973
- Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi-Electron Model of Cyclic PolyenesThe Journal of Chemical Physics, 1967