Modification of Spin Density Distribution via Specific Hydrogen Bond Interactions: An Experimental, UHF, and Density Functional Study
- 1 July 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 119 (29), 6833-6836
- https://doi.org/10.1021/ja970801a
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Model Systems for Flavoenzyme Activity: One- and Two-Electron Reduction of Flavins in Aprotic Hydrophobic EnvironmentsJournal of the American Chemical Society, 1997
- Electron Magnetic Resonance of the Tyrosyl Radical in Ribonucleotide Reductase from Escherichia coliJournal of the American Chemical Society, 1996
- Spin-Density Distribution, Conformation, and Hydrogen Bonding of the Redox-Active Tyrosine YZ in Photosystem II from Multiple-Electron Magnetic-Resonance Spectroscopies: Implications for Photosynthetic Oxygen EvolutionJournal of the American Chemical Society, 1995
- Model Systems for Flavoenzyme Activity. Stabilization of the Flavin Radical Anion through Specific Hydrogen Bond InteractionsJournal of the American Chemical Society, 1995
- Structure, epr parameters, and reactivity of organic free radicals from a density functional approachTheoretical Chemistry Accounts, 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
- Ferromagnetic spin interaction in a crystalline molecular complex formed by inter-heteromolecular hydrogen bonding: a 1 : 1 complex of phenyl nitronyl nitroxide radical and phenylboronic acidJournal of the Chemical Society, Chemical Communications, 1995
- The spin polarization model for hyperfine coupling constantsTheoretical Chemistry Accounts, 1992
- Dependence of isotropic hyperfine coupling in the fluoromethyl radical series on inversion angleThe Journal of Organic Chemistry, 1991
- Total 2p.pi. spin density mapping as a function of hydrogen bonding involving an anion radicalThe Journal of Physical Chemistry, 1990