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Journal of Chemical Theory and Computation|July 3, 2019
Ab Initio Calculations for Spin-Gaps of Non-Heme Iron ComplexesQuan Manh Phung, Carlos Martín-Fernández, Jeremy N Harvey, et al.Journal of the American Chemical Society|May 5, 2020
Oxophosphonium-Alkyne Cycloaddition Reactions: Reversible Formation of 1,2-Oxaphosphetes and Six-membered Phosphorus HeterocyclesPawel Löwe, Milica Feldt, Marius A Wünsche, et al.Journal of Chemical Theory and Computation|January 4, 2019
Limits of Coupled-Cluster Calculations for Non-Heme Iron ComplexesMilica Feldt, Quan Manh Phung, Kristine Pierloot, et al.Inorganic Chemistry|September 15, 2021
Thiophosphonium-Alkyne Cycloaddition Reactions: A Heavy Congener of the Carbonyl-Alkyne MetathesisPawel Löwe, Milica Feldt, Maike B Röthel, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 21, 2017
Manganese(I)-Catalyzed Dispersion-Enabled C-H/C-C ActivationTjark H Meyer, Weiping Liu, Milica Feldt, et al.Angewandte Chemie (International Ed. in English)|December 14, 2022
On the Reactivity of Phosphaalumenes towards C-C Multiple BondsSamuel Nees, Tim Wellnitz, Fabian Dankert, et al.Scientific Reports|March 18, 2018
QM/MM study of the reaction mechanism of sulfite oxidaseOctav Caldararu, Milica Feldt, Daniela Cioloboc, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 12, 2021
Reactivity of the Bicyclic Amido-Substituted Silicon(I) Ring Compound Si<sub>4</sub> {N(SiMe<sub>3</sub> )Mes}<sub>4</sub> with FLP-Type CharacterKevin Schwedtmann, Michael Quest, Benedikt J Guddorf, et al.The Journal of Physical Chemistry. A|June 4, 2024
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum ChemistryRene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, et al.Pageof 2