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Physical Chemistry Chemical Physics : PCCP|May 16, 2023
Efficient automatic construction of atom-economical QM regions with point-charge variation analysisFelix Brandt, Christoph R JacobPhysical Chemistry Chemical Physics : PCCP|July 25, 2023
Protein network centralities as descriptor for QM region construction in QM/MM simulations of enzymesFelix Brandt, Christoph R JacobJournal of Chemical Theory and Computation|March 10, 2022
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty QuantificationFelix Brandt, Christoph R JacobAngewandte Chemie (International Ed. in English)|April 23, 2021
Electrocatalytic Activation of Donor-Acceptor Cyclopropanes and Cyclobutanes: An Alternative C(sp<sup>3</sup> )-C(sp<sup>3</sup> ) Cleavage ModeSimon Kolb, Martin Petzold, Felix Brandt, et al.Scientific Reports|March 27, 2019
Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivityJennifer Solarczek, Thomas Klünemann, Felix Brandt, et al.Angewandte Chemie (International Ed. in English)|January 19, 2023
Biased Borate Esterification during Nucleoside Phosphorylase-Catalyzed Reactions: Apparent Equilibrium Shifts and Kinetic ImplicationsFelix Kaspar, Felix Brandt, Sarah Westarp, et al.Nature Communications|April 29, 2024
Nucleoside Phosphorylases make N7-xanthosineSarah Westarp, Felix Brandt, Lena Neumair, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 5, 2011
Theoretical study of the Raman optical activity spectra of 3(10)-helical polypeptidesChristoph R JacobThe Journal of Chemical Physics|January 10, 2012
Unambiguous optimization of effective potentials in finite basis setsChristoph R JacobACS Omega|June 8, 2019
Computational Insights into the Mechanism of the Selective Catalytic Reduction of NO <i></i> : Fe- versus Cu-Exchanged Zeolite CatalystsJulian Rudolph, Christoph R JacobPageof 9