Isotropic and anisotropic hyperfine coupling constants of 13C and 1H for the oxirane and oxallyl radical cations. Theoretical predictions with the ab initio configuration interaction method
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference21 articles.
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1. Vibronic coupling in ionized organic molecules: structural distortions and chemical reactions;Radiation Physics and Chemistry;2003-06
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. 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
4. Ab initio study of molecular structure and hyperfine coupling constants of 1,3,5-cycloheptatriene radical cation;Journal of Molecular Structure: THEOCHEM;1998-03
5. High‐level ab initio prediction of the structure and infrared spectra of formaldehyde–water radical‐cation complexes;The Journal of Chemical Physics;1995-02-15
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