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