Publications

J. Meisner, I. Kamp, W.-F. Thi, and J. Kästner. The role of atom tunneling in gas-phase reactions in planet-forming disks. Astron. Astrophys., (627):A45, 2019. [PUMA: EXC310 chemie from:alexanderdenzel kaestner kästner meisner stuttgart theochem theoretische] URL

Jan Meisner, Philipp P. Hallmen, Johannes Kästner, and Guntram Rauhut. Vibrational analysis of methyl cation—Rare gas atom complexes: CH₃⁺—Rg (Rg = He, Ne, Ar, Kr). J. Chem. Phys., (150)8:084306, 2019. [PUMA: chemie from:alexanderdenzel kaestner kästner meisner rauhut stuttgart theochem theoretische] URL

Daniel Brodbeck, Sonia Álvarez-Barcia, Jan Meisner, Florian Broghammer, Julian Klepp, Delphine Garnier, Wolfgang Frey, Johannes Kästner, and René Peters. Asymmetric Carboxycyanation of Aldehydes by Cooperative AlF-/Onium Salt Catalysts: from Cyanoformate to KCN as Cyanide Source. Chem. Eur. J., (25):1515-1524, 2019. [PUMA: EXC310 chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Jan Meisner, Johannes Karwounopoulos, Patrick Walther, Johannes Kästner, and Stefan Naumann. The Lewis Pair Polymerization of Lactones Using Metal Halides and N-Heterocyclic Olefins: Theoretical Insights. Molecules, (23):432, 2018. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

J. Meisner, and J. Kästner. Reaction Rates and Kinetic Isotope Effects of H₂ + OH → H₂O + H. J. Chem. Phys., (144):174303, 2016. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Max N Markmeyer, Thanja Lamberts, Jan Meisner, and Johannes Kästner. HOCO formation in astrochemical environments by radical-induced H-abstraction from formic acid. Mon. Not. R. Astron. Soc., (482)1:293-300, 2019. [PUMA: EXC310 chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Jan Meisner, Thanja Lamberts, and Johannes Kästner. Atom Tunneling in the Water Formation Reaction H₂ + OH → H₂O + H on an Ice Surface. ACS Earth Space Chem., (1):399-410, 2017. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Suman Sen, Wolfgang Frey, Jan Meisner, Johannes Kästner, and Micheal R. Buchmeiser. An Anionic Molybdenum Amidato Bisalkyl Alkylidyne Complex. J. Organomet. Chem., (799):223-225, 2015. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

J. Meisner, J. B. Rommel, and J. Kästner. Kinetic Isotope Effects Calculated with the Instanton Method. J. Comput. Chem., (32):3456, 2011. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Maike Lenz, Jan Meisner, Leann Quertinmont, Stefan Lutz, Johannes Kästner, and Bettina M. Nestl. Asymmetric Ketone Reduction by Imine Reductases. ChemBioChem, (18)3:253-256, 2017. [PUMA: asymmetric biocatalysis, carbonyl catalysis, chemie compounds, from:alexanderdenzel kaestner kästner meisner promiscuity, reduction stuttgart theochem theoretische] URL

M. U. Bohner, J. Meisner, and J. Kästner. A Quadratically-Converging Nudged Elastic Band Optimizer. J. Chem. Theory Comput., (9):3498-3504, 2013. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Stefan Rieckhoff, Jan Meisner, Johannes Kästner, Wolfgang Frey, and R Peters. Double Regioselective Asymmetric C-Allylation of Isoxazolinones: Iridium-Catalyzed N-Allylation Followed by an Aza-Cope Rearrangement. Angew. Chem. Int. Ed., (57)5:1404-1408, 2018. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Jan Meisner, Max N. Markmeyer, Matthias U. Bohner, and Johannes Kästner. Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory. Phys. Chem. Chem. Phys., (19)34:23085-23094, The Royal Society of Chemistry, 2017. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

S. Álvarez-Barcia, M.-S. Russ, J. Meisner, and J. Kästner. Atom tunnelling in the reaction NH₃⁺ + H₂ → NH₄⁺ + H and its astrochemical relevance. Faraday Disc., (195):69-80, 2016. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Maximilian Koy, Iris Elser, Jan Meisner, Wolfgang Frey, Klaus Wurst, Johannes Kästner, and Michael R. Buchmeiser. High Oxidation State Molybdenum N-Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies, and Reactivity. Chemistry — A European Journal, (23)61:15484-15490, 2017. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Jan Meisner, and Johannes Kästner. Dual-Level Approach to Instanton Theory. J. Chem. Theory Comput., (14):1865-1872, 2018. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

Daniel Brodbeck, Florian Broghammer, Jan Meisner, Julian Klepp, Delphine Garnier, Wolfgang Frey, Johannes Kästner, and Ren\´e Peters. An Aluminum Fluoride Complex with an Appended Ammonium Salt as an Exceptionally Active Cooperative Catalyst for the Asymmetric Carboxycyanation of Aldehydes. Angew. Chem. Int. Ed., (56):4056–4060, 2017. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL

J. Meisner, and J. Kästner. Atom-Tunneling in Chemistry. Angew. Chem. Int. Ed., (55):5400-5413, 2016. [PUMA: chemie from:alexanderdenzel imported kaestner kästner meisner stuttgart theochem theoretische] URL