Mn Dimer Can Be Described Accurately with Density Functional Calculations When Self-Interaction Correction Is Applied-Reference-Cited by-同舟云学术

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Mn Dimer Can Be Described Accurately with Density Functional Calculations When Self-Interaction Correction Is Applied

Published:2021-04-26 Issue:17 Volume:12 Page:4240-4246
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Ivanov Aleksei V.¹²^ORCID,Ghosh Tushar K.¹³,Jónsson Elvar Ö.¹³^ORCID,Jónsson Hannes¹³^ORCID

Affiliation:

1. Science Institute and Faculty of Physical Sciences, University of Iceland VR-III, 107 Reykjavík, Reykjavik, Iceland

2. St. Petersburg State University, St. Petersburg 199034, Russia

3. Department of Applied Physics, Aalto University, Espoo FI-00076, Finland

Funder

Suomen Akatemia

Icelandic Research Fund

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.1c00364

Reference47 articles.

1. Dimethylsulfoxide (DMSO) Reductase, a Member of the DMSO Reductase Family of Molybdenum Enzymes

2. Manganese Enzymes with Binuclear Active Sites

3. Ground-state exchange energy of the Mn2 antiferromagnetic molecule

4. ESR of Mn2and Mn5molecules in rare‐gas matricesa)

5. Ultraviolet-visible and Raman spectroscopy of diatomic manganese isolated in rare-gas matrixes

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4. Importance of Dispersion in the Molecular Geometries of Mn(III) Spin-Crossover Complexes;The Journal of Physical Chemistry A;2023-04-03

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