On the Parameters Used in Semiempirical Molecular Orbital Theory for Conjugated Hydrocarbons
- 1 October 1961
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 35 (4) , 1249-1255
- https://doi.org/10.1063/1.1732031
Abstract
No abstract availableKeywords
This publication has 30 references indexed in Scilit:
- On the Calculation of the Inverse of the Overlap Matrix in Cyclic SystemsJournal of Mathematical Physics, 1960
- Jahn-Teller Distortions in Cyclobutadiene, Cyclopentadienyl Radical, and Benzene Positive and Negative IonsThe Journal of Chemical Physics, 1960
- The Effect of Substitution on the Ionization Potentials of Free Radicals and Molecules. I. A New Set of Constants, the δK Values1Journal of the American Chemical Society, 1960
- Refined Antisymmetric Molecular-Orbital Calculations of the Energy Levels of Benzene and HexamethylbenzeneAustralian Journal of Chemistry, 1959
- Antisymmetrized Hückel Orbital Calculations of Ionization Potentials and Electron Affinities of Some Aromatic HydrocarbonsThe Journal of Chemical Physics, 1958
- Orthogonalization Procedures and the Localization of Wannier FunctionsPhysical Review B, 1957
- The density matrix in self-consistent field theory II. Applications in the molecular orbital theory of conjugated systemsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956
- An Improvement in the π-Electron Approximation in LCAO MO TheoryThe Journal of Chemical Physics, 1953
- Formulas and Numerical Tables for Overlap IntegralsThe Journal of Chemical Physics, 1949
- Calculations of the Lower Excited Levels of BenzeneThe Journal of Chemical Physics, 1938