Density functional studies of free radicals: accurate geometry and hyperfine coupling prediction for semiquinone anions
- 1 September 1996
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 259 (3-4) , 296-300
- https://doi.org/10.1016/0009-2614(96)00744-0
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Density functional calculations of Fermi contact hyperfine coupling parametersChemical Physics Letters, 1995
- Validation of self-consistent hybrid density functionals for the study of structural and electronic characteristics of organic π radicalsThe Journal of Chemical Physics, 1995
- ENDOR studies of semiquinone radical ions in liquid crystalline solutionsMagnetic Resonance in Chemistry, 1987
- Molecular orbital investigation of dimer formations of bacteriochlorophyll a. Model configurations for the primary donor of photosynthesisChemical Physics, 1986
- Powder ENDOR spectra of p-benzoquinone anion radical: principal hyperfine tensor components for ring protons and for hydrogen-bonded protonsJournal of the American Chemical Society, 1986
- ENDOR Characterization of Hydrogen-Bonding to Immobilized Quinone Anion RadicalsPublished by Springer Nature ,1985
- ENDOR of Semiquinones in RCs from Rhodopseudomonas sphaeroidesPublished by Springer Nature ,1985
- Oxygen-17 and carbon-13 hyperfine interactions in the electron paramagnetic resonance spectrum of the hydroquinone cation radicalJournal of the American Chemical Society, 1970
- Electron nuclear double resonance and electron spin resonance study of semiquinones related to vitamins K and EJournal of the American Chemical Society, 1970
- Electron spin resonance studies of free radicals derived from plastoquinone, α- and γ-tocopherol and their relation to free radicals observed in photosynthetic materialsBiochimica et Biophysica Acta (BBA) - Bioenergetics, 1969