Ab initio calculations of g values of free radicals by finite perturbation theory
- 1 October 1991
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 235 (1-2) , 39-49
- https://doi.org/10.1016/0166-1280(91)85083-j
Abstract
No abstract availableThis publication has 23 references indexed in Scilit:
- Calculation of g-values of free radicals by finite perturbation theoryJournal of Molecular Structure: THEOCHEM, 1989
- Determination of molecular structures of free radicals from ESR parameters.NIPPON KAGAKU KAISHI, 1986
- factors and related magnetic properties of molecules. Formulation of theory and calculations for , H, andPhysical Review A, 1979
- .sigma. Ground state of the benzoyloxy radicalJournal of the American Chemical Society, 1978
- Energy weighted maximum overlap in magnetic fields applications to electron spin resonance problemsInternational Journal of Quantum Chemistry, 1975
- The calculation of spin-orbit splitting and g tensors for small molecules and radicalsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1973
- Calculation of g Values for O3−, NO22−, and NF2The Journal of Chemical Physics, 1972
- SCF MO INDO calculation of g-tensors of some ?-type radicalsTheoretical Chemistry Accounts, 1971
- Molecular Orbital Treatment of Nitric Oxide Radicals. II. ESR Spectra of Aliphatic Nitric Oxide RadicalsBulletin of the Chemical Society of Japan, 1969
- Gauge invariance of the g tensorProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1963