Roemelt, Michael Lehrstuhl für Theoretische Chemie, Ruhr-University Bochum; Research Group Roemelt, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Roemelt, M., Krewald, V., & Pantazis, D. 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. Journal of Chemical Theory and Computation, 14(1), 166-179. doi:10.1021/acs.jctc.7b01035.