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Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex

Roemelt, Michael and Krewald, Vera and Pantazis, Dimitrios A. (2018):
Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.
In: Journal of Chemical Theory and Computation, pp. 166-179, 14, (1), ISSN 1549-9618,
DOI: 10.1021/acs.jctc.7b01035,
[Online-Edition: https://doi.org/10.1021/acs.jctc.7b01035],
[Article]

Item Type: Article
Erschienen: 2018
Creators: Roemelt, Michael and Krewald, Vera and Pantazis, Dimitrios A.
Title: Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex
Language: English
Journal or Publication Title: Journal of Chemical Theory and Computation
Volume: 14
Number: 1
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Theoretische Chemie
Date Deposited: 22 Jan 2019 08:48
DOI: 10.1021/acs.jctc.7b01035
Official URL: https://doi.org/10.1021/acs.jctc.7b01035
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