Researcher Portfolio
Dr. Casali, Nicole
Independent Research Group: Personality, Identity, and Crime, Max Planck Institute for the Study of Crime, Security and Law, Max Planck Society
Researcher Profile
Position: Independent Research Group: Personality, Identity, and Crime, Max Planck Institute for the Study of Crime, Security and Law, Max Planck Society
Researcher ID: https://pure.mpg.de/cone/persons/resource/persons289819
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]