A Density Functional Study of Hyperfine Coupling Constants in Steroid Radicals
- 1 December 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (50) , 11130-11135
- https://doi.org/10.1021/jp992489s
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived RadicalsThe Journal of Physical Chemistry A, 1999
- Theoretical Investigation of Adenine Radicals Generated in Irradiated DNA ComponentsThe Journal of Physical Chemistry B, 1998
- Ab initio comparative study of the electronic structure of testosterone, epitestosterone and androstenedioneJournal of Molecular Structure: THEOCHEM, 1998
- An ESR study of the stable radical in a γ-irradiated single crystal of 17α-dydroxy-progesteroneJournal of Molecular Structure, 1990
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B, 1988
- Radiation damage in androst-4-en-3,17-dione molecules: an ESR study of free radicals in single crystalsJournal of Molecular Structure, 1987
- An EPR study of γ-irradiated single crystals of cholesta-4, 6-diene-3-oneJournal of Molecular Structure, 1985
- The crystal and molecular structure of cholest-4-en-3-oneActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1976
- Structure cristalline et moléculaire de la progestérone, C21H30O2Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1972
- Molecular orbital theory of the electronic structure of organic compounds. II. Spin densities in paramagnetic speciesJournal of the American Chemical Society, 1968