Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes-Reference-Cited by-同舟云学术

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Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes

Published:2018-08-01 Issue:9 Volume:14 Page:4662-4677
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Singh Saurabh Kumar¹^ORCID,Atanasov Mihail¹²,Neese Frank¹

Affiliation:

1. Department of Molecular Theory and Spectroscopy, Max-Planck Institute for Kohlenforschung, Kaiser Wilhelm-Platz-1, Mülheim an der Ruhr, Germany

2. Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Akad. Georgi Bontchev Street 11, 1113 Sofia, Bulgaria

Funder

Max-Planck-Gesellschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00513

Reference130 articles.

1. Structural and Functional Aspects of Metal Sites in Biology

2. Preface: Bioinorganic Enzymology

3. Magnetic bistability in a metal-ion cluster

4. Single-atom data storage

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