Etude de barrières d'inversion de l'azote et du carbone par le théorème de Hellmann-Feynman
- 1 January 1971
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 21 (2) , 345-348
- https://doi.org/10.1080/00268977100101471
Abstract
No abstract availableKeywords
This publication has 7 references indexed in Scilit:
- Analyse conformationnelle théorique III. Etude ab initio SCF-LCAO-MO de l'inversion de l'azote dans l'Aziridine et dans l'OxaziridineTheoretical Chemistry Accounts, 1969
- Structure électronique comparée des isomères conjugués du benzèneTheoretical Chemistry Accounts, 1968
- Numerical Test of the Integral Hellmann—Feynman TheoremThe Journal of Chemical Physics, 1967
- Barrier to Internal Rotation in Ethane Using the Hellman—Feynman TheoremThe Journal of Chemical Physics, 1966
- Energy Differences and Parr's Integral Hellmann—Feynman TheoremThe Journal of Chemical Physics, 1965
- Theorem Governing Changes in Molecular ConformationThe Journal of Chemical Physics, 1964
- Single determinant wave functionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961