The ORCA quantum chemistry program package-Reference-Cited by-同舟云学术

The ORCA quantum chemistry program package

Published:2020-06-14 Issue:22 Volume:152 Page:224108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Neese Frank¹²^ORCID,Wennmohs Frank¹,Becker Ute¹,Riplinger Christoph²^ORCID

Affiliation:

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

2. FAccTs GmbH, Rolandstr. 67, 50677 Köln, Germany

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0004608

Reference289 articles.

1. F. Neese, “Electronic structure and spectroscopy of novel copper chromophores in biology,” Ph. D. thesis, Fakultät für Biologie, Universität Konstanz, Konstanz, 1997, p. 239.

2. The Electronic Structure of CuA: A Novel Mixed-Valence Dinuclear Copper Electron-Transfer Center

3. The Purple Mixed-Valence CuA Center in Nitrous-oxide Reductase: EPR of the Copper-63-, Copper-65-, and Both Copper-65- and [15N]Histidine-Enriched Enzyme and a Molecular Orbital Interpretation

4. An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene

5. A generalized restricted open-shell Fock operator

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