Molecular SCF calculations for the ground state of some three-membered ring molecules: Cis and trans diaziridine, oxaziridine and the corresponding imminium ions
- 1 January 1971
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 21 (1) , 17-27
- https://doi.org/10.1007/bf00529086
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- Molecular SCF Calculations for the Ground State of Some Three-Membered Ring Molecules: (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, and N2CH2The Journal of Chemical Physics, 1970
- Localized Orbitals for Polyatomic Molecules. I. The Transferability of the C–H Bond in Saturated MoleculesThe Journal of Chemical Physics, 1969
- Optical and Photoelectron Spectra of Small Rings. III. The Saturated Three-Membered RingsThe Journal of Chemical Physics, 1969
- “Ab Initio” Calculation of the Quadrupole Coupling Constant of 14N in HCN, FCN, ClCN, HC2CN, CN−, OCN−, SCN− and the Examination of the Townes–Dailey Interpretation in Terms of Exclusive OrbitalsThe Journal of Chemical Physics, 1969
- Bond moments in the two-carbon series ethane, ethylene, and acetyleneJournal of the American Chemical Society, 1969
- Peptides from Non-Amino Acid Sources. II. A Quantum-Chemical Study of the Isomers of FormamideThe Journal of Chemical Physics, 1969
- Analyse conformationnelle théorique III. Etude ab initio SCF-LCAO-MO de l'inversion de l'azote dans l'Aziridine et dans l'OxaziridineTheoretical Chemistry Accounts, 1969
- SCF Minimal Basis Set Calculations and Exclusive Orbitals for CN−, HCN, N3−, HN3, NCO−, and HNCOThe Journal of Chemical Physics, 1968
- Atomic Screening Constants from SCF FunctionsThe Journal of Chemical Physics, 1963