Energy separation between the open (C2v) and closed (D3h) forms of ozone
- 15 July 1977
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (2) , 848-849
- https://doi.org/10.1063/1.434854
Abstract
Configuration interaction calculations were performed using the currently developed BERKELEY system of programs on ozone, and the energy difference between closed and open isomers was determined. (AIP)Keywords
This publication has 17 references indexed in Scilit:
- Theoretical evidence for metastable cyclic ozoneNature, 1977
- Molecular Electronic Structure Theory: 1972-1975Annual Review of Physical Chemistry, 1976
- Computational Chemistry: Getting More from a MinicomputerScience, 1976
- Theoretical investigation of the cyclic conformer of ozoneChemical Physics Letters, 1974
- Theoretical evidence for bound electronic excited states of ozoneChemical Physics Letters, 1973
- Theoretical Evidence for a Stable form of Cyclic Ozone, and its Chemical ConsequencesCanadian Journal of Chemistry, 1973
- Electronic structure of the open forms of three-membered ringsJournal of the American Chemical Society, 1971
- Self-consistent-field wave functions, energies, multipole moments, diamagnetic susceptibility and shielding tensors, and electric field gradient tensors for nitrogen dioxide and ozoneMolecular Physics, 1971
- Excited States of H2O using improved virtual orbitalsChemical Physics Letters, 1969
- Geometry of Ozone and Azide Ion in Ground and Certain Excited StatesThe Journal of Chemical Physics, 1967