Density Functional Calculations of Electronic g-Tensors Using Spin−Orbit Pseudopotentials and Mean-Field All-Electron Spin−Orbit Operators-Reference-Cited by-同舟云学术

Density Functional Calculations of Electronic g-Tensors Using Spin−Orbit Pseudopotentials and Mean-Field All-Electron Spin−Orbit Operators

Published:2000-09-01 Issue:38 Volume:122 Page:9206-9218
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Malkina Olga L.¹,Vaara Juha¹,Schimmelpfennig Bernd¹,Munzarová Markéta¹,Malkin Vladimir G.¹,Kaupp Martin¹

Affiliation:

1. Contribution from the Computing Center and Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska Cesta 9, SK-84236 Bratislava, Slovakia, Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany, Institut für Anorganische Chemie, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja000984s

Reference59 articles.

1. Recent Developments in Configuration Interaction and Density Functional Theory Calculations of Radical Hyperfine Structure.

2. Contribution of the relativistic mass correction to the g tensor of molecules

3. g-Values as a Probe of the Local Protein Environment: High-Field EPR of Tyrosyl Radicals in Ribonucleotide Reductase and Photosystem II

4. Hartree–Fock–Slater–LCAO calculations on the Cu(II) bis(dithiocarbamate) complex; magnetic coupling parameters and optical spectrum

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