A CCSD (T) investigation of carbonyl oxide and dioxirane. Equilibrium geometries, dipole moments, infrared spectra, heats of formation and isomerization energies
- 1 July 1993
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 209 (5-6) , 547-556
- https://doi.org/10.1016/0009-2614(93)80131-8
Abstract
No abstract availableKeywords
This publication has 52 references indexed in Scilit:
- Comparison of coupled-cluster methods which include the effects of connected triple excitationsThe Journal of Chemical Physics, 1990
- Vibrational frequencies for Be3 and Be4The Journal of Chemical Physics, 1990
- Formation of Dioxirane from Carbonyl OxideAngewandte Chemie International Edition in English, 1988
- Hartree-Fock descriptions of 1,3-dipoles. Zwitterions, 1,3-diradicals, or hypervalent species?Journal of the American Chemical Society, 1987
- Theoretical determination of molecular structure and conformation. 9. Ozonolysis of fluoroalkenesJournal of the American Chemical Society, 1981
- Theoretical determination of molecular structure and conformation. 8. Energetics of the ozonolysis reaction. Primary ozonide vs. carbonyl oxide control of stereochemistryJournal of the American Chemical Society, 1981
- Theoretical determination of molecular structure and conformation. 6. The Criegee intermediate. Evidence for a stabilization of its syn form by alkyl substituentsJournal of the American Chemical Society, 1979
- Accurate binding energies of diborane, borane carbonyl, and borazane determined by many-body perturbation theoryJournal of the American Chemical Society, 1979
- Mechanisms of gas-phase and liquid-phase ozonolysisJournal of the American Chemical Society, 1978
- DODS natural orbital (NO) CI investigations of 1,3-diradicals: CH2NHO, CH2OO, and CH2CH2OThe Journal of Chemical Physics, 1978