Geometric and electronic structures of chlorine- and fluorine-substituted carbonyl and thiocarbonyl compounds. An ab initio study
- 1 January 1979
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 55, 283-294
- https://doi.org/10.1016/0022-2860(79)80218-5
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- An efficient ab initio gradient programTheoretical Chemistry Accounts, 1979
- A b i n i t i o SCF MO calculations of the potential surfaces of thiocarbonyls. I. ? 1A1 and ? 3A2 electronic and ? 3A2(b1) vibrational states of F2CSThe Journal of Chemical Physics, 1978
- A molecular orbital study of protonation substituted carbonyl compoundsJournal of the American Chemical Society, 1976
- Geometries and electronic structures of sulfine and thioformaldehydeJournal of Molecular Structure, 1976
- Anab initio molecular orbital study of substituted carbonyl compoundsTheoretical Chemistry Accounts, 1975
- Non-empirical SCF and Cl Study of the ground and excited states of thioformaldehydeChemical Physics, 1974
- The isotope dependence of the equilibrium rotational constants in 1Σ states of diatomic moleculesJournal of Molecular Spectroscopy, 1973
- Ab initio calculations for the ground and low-lying triplet states of thioformaldehydeThe Journal of Physical Chemistry, 1973
- Self-Consistent Molecular Orbital Methods. XIV. An Extended Gaussian-Type Basis for Molecular Orbital Studies of Organic Molecules. Inclusion of Second Row ElementsThe Journal of Chemical Physics, 1972
- Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1971