About counterintuitive orbital mixing and bond populations
- 1 September 1983
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 63 (6) , 529-539
- https://doi.org/10.1007/bf02394811
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Embedded cluster model of Nb: Compton profile and electronic spectraPhysical Review B, 1980
- Counterintuitive orbital mixing in semiempirical and ab initio molecular orbital calculationsJournal of the American Chemical Society, 1978
- A theoretical study of the electronic structure of ferrocene and ferricinium: Application to Mössbauer isomer shifts, ionization potentials, and conformationThe Journal of Chemical Physics, 1976
- Comment on a paper by Stout and PolitzerTheoretical Chemistry Accounts, 1972
- An investigation of definitions of the charge on an atom in a moleculeTheoretical Chemistry Accounts, 1968
- Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutaneTetrahedron, 1968
- Molecular orbital calculations on vanadocene ferrocene and nickeloceneInorganica Chimica Acta, 1967
- ? Electronic distribution, charge transfer and intensities of infrared absorption bands in borazineTheoretical Chemistry Accounts, 1966
- Electronegativity. I. Orbital Electronegativity of Neutral AtomsJournal of the American Chemical Society, 1962
- The electronic structure of conjugated systems. VIProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1950