Investigations in semi-empirical molecular orbital methods. IV. A modified wolfsberg-helmholz method for inorganic systems
- 31 December 1974
- journal article
- Published by Elsevier in Inorganica Chimica Acta
- Vol. 9 (1) , 245-250
- https://doi.org/10.1016/s0020-1693(00)89914-4
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- The charge distribution in chromium(III) and iron(III) hexafluorideChemical Physics Letters, 1973
- Semiempirical molecular orbital methods. II. Computational results for octahedral fluorides hexafluorotitanate(3-), hexafluorochromate(3-), hexafluoroferrate(3-), and hexafluoronickelate(4-)Inorganic Chemistry, 1973
- An approximate molecular orbital theory of large molecules. General formalism and application to the sulphate ion and sulphur hexafluorideJ. Chem. Soc. A, 1969
- Parameter-free molecular orbital calculationsInorganic Chemistry, 1968
- An investigation of definitions of the charge on an atom in a moleculeTheoretical Chemistry Accounts, 1968
- Influence of madelung (interatomic Coulomb) energy on Wolfsberg–Helmholz calculationsInternational Journal of Quantum Chemistry, 1967
- Semiempirical Molecular Orbital Calculations. III. The Resonance Integral in the Wolfsberg—Helmholz MethodThe Journal of Chemical Physics, 1966
- Energy Levels, Spin Densities, and the Nephelauxetic Effect in Metal HexafluoridesInorganic Chemistry, 1966
- A Method for Molecular Orbital Calculations for Metal ComplexesInorganic Chemistry, 1966
- Valence orbital ionization potentials from atomic spectral dataTheoretical Chemistry Accounts, 1965