Calculs «a priori» de constantes physiques moléculaires à partir de méthodes SCF sémi-empiriques. I. Influence des orbitales d dans la série des chloréthylènes
- 1 January 1973
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 32 (2) , 135-144
- https://doi.org/10.1007/bf00528485
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- Étude théorique des spectres électroniques de dérivés sulfurés: I. Dérivés du pyranneJournal of Molecular Structure, 1972
- Solvent effects in carbon-13 nuclear magnetic resonance. Electronic perturbation of aromatic systemsJournal of the American Chemical Society, 1972
- The use of the CNDO method in spectroscopyTheoretical Chemistry Accounts, 1972
- Étude théorique de molécules halogénéesJournal de Chimie Physique et de Physico-Chimie Biologique, 1971
- Complete neglect of differential overlap calculations on second-row moleculesJournal of the American Chemical Society, 1968
- Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the DiazinesThe Journal of Chemical Physics, 1968
- Approximate Self-Consistent Molecular Orbital Theory. IV. Calculations on Molecules Including the Elements Sodium through ChlorineThe Journal of Chemical Physics, 1967
- Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 SystemsThe Journal of Chemical Physics, 1966
- Extended Hückel method charge distributions and the chemical shiftTheoretical Chemistry Accounts, 1966
- Approximate Self-Consistent Molecular Orbital Theory. I. Invariant ProceduresThe Journal of Chemical Physics, 1965