An ab initio SCF and CI study of ketene imine
- 1 June 1982
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 87 (4) , 355-364
- https://doi.org/10.1016/0166-1280(82)80038-9
Abstract
No abstract availableThis publication has 18 references indexed in Scilit:
- C3H5+ isomers: evidence for the existence of long-lived allyl and 2-propenyl cations in the gas phaseJournal of the American Chemical Society, 1980
- Matrix isolation study of the interaction of excited argon atoms with methyl cyanide, vibrational and electronic spectra of ketenimineChemical Physics, 1979
- Electronic and geometeric rearrangements in the protonation process. An ab initio study of the monothioformate anionChemical Physics Letters, 1979
- On the basis set dependence of reported limitations in predictions from electrostatic potentialsChemical Physics Letters, 1978
- The limits of electrostatic potential predictions: a theoretical study of nitrous acid and protonated derivativesChemical Physics Letters, 1977
- SCF methods for excited statesInternational Journal of Quantum Chemistry, 1976
- Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1972
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965
- Infrared Study of the Reactions of CH2 and NH with C2H2 and C2H4 in Solid ArgonJournal of the American Chemical Society, 1963