Ab Initio valence bond treatment of simple molecules
- 20 January 1974
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 8 (S8) , 285-291
- https://doi.org/10.1002/qua.560080833
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Ab initio valence bond calculations. I. MethyleneInternational Journal of Quantum Chemistry, 1973
- Valence Bond Calculations of Spin Density Distribution in Benzyl RadicalThe Journal of Chemical Physics, 1972
- An ab initio valence bond treatment of the CH radicalChemical Physics Letters, 1972
- Calculation of the Hyperfine Splittings of CH. Cusp Constraint of a WavefunctionThe Journal of Chemical Physics, 1971
- Geometry Optimization in the Computation of Barriers to Internal RotationThe Journal of Chemical Physics, 1970
- Electronic Structure of LiH According to a Generalization of the Valence-Bond MethodThe Journal of Chemical Physics, 1969
- Valence-Bond Theory for Simple Hydrocarbon Molecules, Radicals, and IonsThe Journal of Chemical Physics, 1968
- Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AHThe Journal of Chemical Physics, 1967
- Electron spin resonance spectra of some isotopically substituted hydrocarbon radicalsThe Journal of Physical Chemistry, 1967
- Ab Initio Computations in Atoms and MoleculesIBM Journal of Research and Development, 1965