Researcher Portfolio
Dr. Römelt, Michael
Lehrstuhl für Theoretische Chemie, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, D-53115 Bonn, Germany, Research Department Neese, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society, Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society
Researcher Profile
Position: Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society
Position: Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society
Position: Research Department Neese, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society
Position: Lehrstuhl für Theoretische Chemie, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, D-53115 Bonn, Germany
Researcher ID: https://pure.mpg.de/cone/persons/resource/persons237695
Publications
: Römelt, M., Krewald, V. L., & 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. [PubMan] : Römelt, M. (submitted). Theoretical Core-Electron Spectroscopy of Transition Metal Ions in Coordination Compounds and Metalloproteins. [PubMan] : Maekawa, M., Römelt, M., Daniliuc, C. G., Jones, P. G., White, P. S., Neese, F., & Walter, M. D. (2012). Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis. Chemical Science, 3(10), 2972-2979. doi:10.1039/C2SC20737K. [PubMan] : Römelt, M., Ye, S., & Neese, F. (2009). Calibration of Modern Density Functional Theory Methods for the Prediction of 57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals. Inorganic Chemistry, 48(3), 784-785. doi:10.1021/ic801535v. [PubMan]