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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), pp. 166-179. ISSN 1549-9618,
DOI: 10.1021/acs.jctc.7b01035,
[Article]

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