Restricted Open-Shell Hartree–Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings-Reference-Cited by-同舟云学术

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Restricted Open-Shell Hartree–Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings

Published:2024-06-17 Issue:25 Volume:128 Page:5041-5053
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Leyser da Costa Gouveia Tiago¹^ORCID,Maganas Dimitrios¹^ORCID,Neese Frank¹^ORCID

Affiliation:

1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr 45470, Germany

Funder

Deutsche Forschungsgemeinschaft

Max-Planck-Gesellschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c00688

Reference75 articles.

1. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation

2. Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen-Evolving Complex of Photosystem II in the S2State

3. X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor

4. Particle size–activity relationship for CoFe2O4 nanoparticle CO oxidation catalysts

5. Mesoporous Co3O4 as an electrocatalyst for water oxidation

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