Publikationen
Zeitschriftenartikel (4)
2019
Zeitschriftenartikel
Khedkar, A.; Roemelt, M. Active Space Selection Based on Natural Orbital Occupation Numbers from n-Electron Valence Perturbation Theory. Journal of Chemical Theory and Computation 2019, 15, 3522–3536.
Zeitschriftenartikel
Roemelt, M.; Pantazis, D. A. Multireference Approaches to Spin‐State Energetics of Transition Metal Complexes Utilizing the Density Matrix Renormalization Group. Advanced Theory and Simulations 2019, 2, 1800201.
Zeitschriftenartikel
Kull, T.; ; ; ; ; ; Roemelt, M.; Mechanistic Insights into the Electrochemical Reduction of CO2 Catalyzed by Iron Cyclopentadienone Complexes. Organometallics 2019, 38, 1236–1247.
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Zeitschriftenartikel
Khedkar, A.; ; ; ; van Gastel, M.; Roemelt, M.; Solvent-Controlled CO2 Reduction by a Triphos–Iron Hydride Complex. Organometallics 2019, 38, 289–299.
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