Semi-empirical MO calculations of hydrocarbon radicals with the half electron method
- 15 March 1971
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 8 (6) , 533-536
- https://doi.org/10.1016/0009-2614(71)80085-4
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- CNDO calculations of rearrangements in the C3H7+ seriesTetrahedron Letters, 1970
- Ground states of .sigma.-bonded molecules. IX. MINDO [modified intermediate neglect of differential overlap]/2 methodJournal of the American Chemical Society, 1970
- Energy partitioning with the CNDO methodTheoretical Chemistry Accounts, 1970
- A reparametrization of the CNDO method I. HydrocarbonsTheoretical Chemistry Accounts, 1969
- Ground states of conjugated molecules. IX. Hydrocarbon radicals and radical ionsJournal of the American Chemical Society, 1968
- Vergleich einiger vereinfachter Methoden zur Lösung des SCF-Problems bei Systemen mit ungepaarten ElektronenTheoretical Chemistry Accounts, 1968
- Über eine Näherung zur Lösung des “Self‐consistent‐field” Verfahrens für Systeme mit ungepaarten Elektronen I. Die MethodeInternational Journal of Quantum Chemistry, 1968
- Bond Dissociation Energies by Kinetic MethodsChemical Reviews, 1966
- Approximate Self-Consistent Molecular Orbital Theory. I. Invariant ProceduresThe Journal of Chemical Physics, 1965
- Thermodynamic Data from Electron-impact Measurements on Acetylene and Substituted Acetylenes*Journal of the American Chemical Society, 1957