Reaction Mechanism of the Bicopper Enzyme Peptidylglycine-alpha-Hydroxylating Monooxygenase. J. Biol. Chem., (289):13726-13738, 2014. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL
Reaction Mechanism of Monoamine Oxidase from QM/MM Calculations. J. Phys. Chem. B, (117):14238-14246, 2013. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL
Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catal., (10):14810-14823, 2020. [PUMA: chemie kaestner kästner theoretische stuttgart theochem] URL
Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity. Int. J. Mol. Sci., (23):10339, 2022. [PUMA: chemie kaestner kästner theoretische stuttgart theochem] URL
Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity. Int. J. Mol. Sci., (23):10339, 2022. [PUMA: chemie kaestner kästner theoretische stuttgart from:danielborn theochem] URL
Hydrogen transfer reactions of interstellar complex organic molecules. Mon. Not. R. Astron. Soc., (479)2:2007-2015, 2018. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL
Tunneling Above the Crossover Temperature. J. Phys. Chem. A, (118):78, 2014. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL
Atom Tunneling in the Hydroxylation Process of Taurine/α-Ketoglutarate Dioxygenase Identified by Quantum Mechanics/Molecular Mechanics Simulations. J. Phys. Chem. B, (121):5347-5354, 2017. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL
Atom tunnelling in the reaction NH₃⁺ + H₂ → NH₄⁺ + H and its astrochemical relevance. Faraday Disc., (195):69-80, 2016. [PUMA: chemie imported kaestner from:alexanderdenzel kästner meisner theoretische stuttgart theochem] URL
Copper coordination in formylglycine generating enzymes. Eur. Phys. J. Spec. Top., (227)14:1657--1664, 2019. [PUMA: chemie kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL