MNDO RHF CI and MINDO/3 RHF CI Calculations of Hyperfine Coupling Constants of π Radicals
Author:
Publisher
The Chemical Society of Japan
Subject
General Chemistry
Link
https://www.jstage.jst.go.jp/article/bcsj1926/63/7/63_7_2113/_pdf
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3. Unrestricted open-shell calculations by MINDO/3. Geometries and electronic structure of radicals
4. Thermodynamical properties and structural data of radicals calculated byMNDO-UHF
5. Semi-empirical SCF Calculations of the Spin Distributions in thep- ando-Benzosemiquinone Anion Radicals
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1. Modeling solvent effects on electron-spin-resonance hyperfine couplings by frozen-density embedding;The Journal of Chemical Physics;2005-09-15
2. MC/AM1-SCI study of the effect of hydration shells on the nitrogen hyperfine coupling constant of the (CH 3 ) 2 NO radical in aqueous solution;Journal of Molecular Structure: THEOCHEM;2001-05
3. ESR and polarography of nitroazoles. 7. Anion-radicals of isomers of N-methyl-C-nitro-1,2,4-triazole;Chemistry of Heterocyclic Compounds;2000-02
4. MC/MO Study of the Electronic Structure and Hyperfine Coupling Constant of the Nitrogen of the (CH3)2NO Radical in Hydrogen-Bonding and Non-Hydrogen-Bonding Solvents;The Journal of Physical Chemistry A;1999-10-26
5. Theoretical study of homogeneous electron self-exchange in polar aromatic molecules: the role of the reactant structure;Journal of Electroanalytical Chemistry;1994-06
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