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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 ; Krewald, Vera ; 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, 14 (1)
doi: 10.1021/acs.jctc.7b01035
Article, Bibliographie

Item Type: Article
Erschienen: 2018
Creators: Roemelt, Michael ; Krewald, Vera ; Pantazis, Dimitrios A.
Type of entry: Bibliographie
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
Date: 2018
Journal or Publication Title: Journal of Chemical Theory and Computation
Volume of the journal: 14
Issue Number: 1
DOI: 10.1021/acs.jctc.7b01035
URL / URN: https://doi.org/10.1021/acs.jctc.7b01035
Divisions: 07 Department of Chemistry
07 Department of Chemistry > Theoretische Chemie (am 07.02.2024 umbenannt in Quantenchemie)
Date Deposited: 22 Jan 2019 08:48
Last Modified: 22 Jan 2019 08:48
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