Approximate valence‐shell electron unrestricted Hartree‐Fock calculations with orthogonalized atomic orbitals: Proton hyperfine splittings in benzyl and related radicals
- 1 May 1974
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 8 (3), 451-465
- https://doi.org/10.1002/qua.560080311
Abstract
No abstract availableKeywords
This publication has 45 references indexed in Scilit:
- Unrestricted Hartree-Fock calculations of spin densities with orthogonalized atomic orbitals: Proton and13C hyperfine splittings in some pi hydrocarbon radicalsInternational Journal of Quantum Chemistry, 1972
- Quantum Theoretical Considerations of the ortho:para Ratio for Proton Isotropic Hyperfine Coupling Constants in Benzyl RadicalThe Journal of Chemical Physics, 1971
- Modified INDO Calculations of the Electronic Structure of Organic Molecules. I. Electronic Excitation Energies of Some Carbonyl Compounds and Conjugated DienesBulletin of the Chemical Society of Japan, 1971
- Proton Hyperfine Coupling Constants in Radicals and the Effect of Orbital OverlapNature, 1970
- Configuration-Interaction Calculations for Small Pi Systems. II. The Benzyl and Linear Heptatriene RadicalsThe Journal of Chemical Physics, 1970
- Full configuration interaction for the benzyl radicalInternational Journal of Quantum Chemistry, 1970
- Ground States of σ-Bonded Molecules. IV. The MINDO Method and Its Application to HydrocarbonsThe Journal of Chemical Physics, 1969
- On invariant procedures in approximate SCF MO theoriesInternational Journal of Quantum Chemistry, 1969
- Spin-Extended PPP SCF Spin Densities in Some Hydrocarbon RadicalsThe Journal of Chemical Physics, 1968
- Semiempirical Molecular Orbital Calculations. III. The Resonance Integral in the Wolfsberg—Helmholz MethodThe Journal of Chemical Physics, 1966