Analytic Calculation of Isotropic Hyperfine Structure Constants Using the Normalized Elimination of the Small Component Formalism-Reference-Cited by-同舟云学术

Analytic Calculation of Isotropic Hyperfine Structure Constants Using the Normalized Elimination of the Small Component Formalism

Published:2012-03-23 Issue:13 Volume:116 Page:3481-3486
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Filatov Michael¹,Zou Wenli²,Cremer Dieter²

Affiliation:

1. Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstrasse 4, D-53115 Bonn, Germany

2. Department of Chemistry, Southern Methodist University, 3215 Daniel Avenue, Dallas, Texas 75275-0314, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp301224u

Reference48 articles.

1. Neese, F.Electron Paramagnetic Resonance;The Royal Society of Chemistry:Cambridge, U.K., 2007; Vol.20, pp73–95.

2. Cimino, P., Neese, F., and Barone, V.Computational Spectroscopy: Methods, Experiments and Applications;Wiley-VCH:Weinheim, 2010; pp63–104.

3. Assessment of Procedures for Calculating Radical Hyperfine Structures

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