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Jan Meisner, M.Sc.

PhD Student in the Group of Prof. Dr. J. Kästner

 
Room 1.838
Phone +49-(0)711-685 64413
Telefax +49-(0)711-685 64442
E-Mail meisner@theochem.uni-stuttgart.de
Address Universität Stuttgart
Institut für Theoretische Chemie
Pfaffenwaldring 55
D-70569 Stuttgart
JungChemiker
Forum
www.jcf-stuttgart.de
Blacksmith www.der-schmied.net

 ss1

 

Research Areas

  
Chemical kinetics and reactivity, in particular atom tunneling
Astrochemistry: Reactivity at low temperatures
Catalysis: Enzymatic, homogeneous and heterogeneous
Modelling of surfaces using QM/MM

Non-Peer-Reviewed Publications

   1.
Quantum Chemical Simulations for AstrochemistryJan Meisner in “Proceedings of the 3rd bwHPC-Symposium” Sabine Richling, Martin Baumann, Vincent Heuveline (Eds.) (2017)

Peer-Reviewed Publications

17.

A Dual-Level Approach to Instanton Theory
Jan Meisner, Johannes Kästner, J. Chem. Theory Comput., 14, 1865 (2018)

16.

The Lewis Pair Polymerization of Lactones Using Metal Halides and N-Heterocyclic Olefins: Theoretical Insights
Jan Meisner, Johannes Karwounopoulos, Partick Walther, Johannes Kästner, and Stefan Naumann, Moleules 23, 432 (2018)

15.

Double Regioselective Asymmetric C-Allylation of Isoxazolinones: Iridium Catalyzed N-Allylation Followed by an Aza-Cope-Rearrangement
Stefan Rieckhoff, Jan Meisner, Johannes Kästner, Wolfgang Frey, and René Peters, Angew. Chem. Int. Ed. 57, 1404 (2018)

14.

Support for a dioxyallyl cation in the mechanism leading to (-)-levoglucosenone
Ben W Greatrex, Jan Meisner, Stephen A. Glover, and Warwick Raverty, J. Org. Chem. 82, 12294–12299 (2017)

13.

High Oxidation State Molybdenum N-Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies and Reactivity
Max Koy, Iris Elser, Jan Meisner, Wolfgang Frey, Klaus Wurst, Johannes Kästner, and Michael R. Buchmeiser, Chem. Eur. J. 23, 15484–15490 (2017)

12.

Atom Tunneling in the Water Formation Reaction H2 + OH → H2O + H on an Ice Surface
Jan Meisner, Thanja Lamberts,ACS Earth Space Chem. 1 (7), 399–410 (2017)

11.

Comparison of Classical Reaction Paths and Tunneling Paths studied with the Semiclassical Instanton Theory
Jan Meisner, Phys. Chem. Chem. Phys.
19, 2308523094 (2017)

10.

An Aluminum Fluoride Complex with an Appended Ammonium Salt as an Exceptionally Active Cooperative Catalyst for the Asymmetric Carboxycyanation of Aldehydes
Daniel Brodbeck, Florian Broghammer, Jan Meisner, Julian Klepp, Delphine Garnier, Wolfgang Frey, Johannes Kästner, and René Peters, Angew. Chem. Int. Ed. 56 4056–4060 (2017)
Ein Aluminium-Fluorid-Komplex mit gekoppelter Ammonium-Einheit als außergewöhnlich aktiver kooperativer Katalysator in der asymmetrischen Carboxycyanierung von Aldehyden
Daniel Brodbeck, Florian Broghammer, Jan Meisner, Julian Klepp, Delphine Garnier, Wolfgang Frey, Johannes Kästner, and René Peters, Angew. Chem. 129, 4115–4119 (2017)

9.

Asymmetric Ketone Reduction by Imine Reductase
Maike Lenz, Jan Meisner, Leann Quertinmont, Stefan Lutz, Johannes Kästner and Bettina Nestl, ChemBioChem 18, 253256  (2017)

 

8.

Atom tunnelling in the reaction NH3+ + H2 → NH4+ + H and its astrochemical relevance
Sonia Álvarez-Barcia, Marie-Sophie Russ, Jan Meisner, and Johannes Kästner, Faraday Discuss.195, 6980 (2016)

 

7.

Reaction rates and kinetic isotope effects of H + OH → HO + H
Jan Meisner and Johannes Kästner, J. Chem. Phys. 144, 174303 (2016)
ArXiv: http://arxiv.org/abs/1605.08776
Erratum: J. Chem. Phys. 147, 049903 (2017)

 

6.

Atom Tunneling in Chemistry
Jan Meisner and Johannes Kästner, Angew. Chem. Int. Ed. 55, 5400 – 5413 (2016)
German version "Der Tunneleffekt von Atomen in der Chemie"
Angew. Chem., 128, 5488 – 5502 (2016)

 

5.

Geometric Rotation of the Nuclear Gradient at a Conical Intersection: Extension to Complex Rotation of Diabatic States
J. Meisner, M. Vacher, M. J. Bearpark, and M. A. Robb, J. Chem. Theory Comput. 11, 3115 (2015)

  4.

Electronic Control of Initial Nuclear Dynamics Adjacent to a Conical Intersection
M
organe Vacher, Jan Meisner, David Mendive-Tapia, Michael J. Bearpark, and Michael A. Robb J. Phys. Chem. A, 119 (21), pp 5165–5172 (2015)

 

3.

An Anionic Molybdenum Amidato Bisalkyl Alkylidyne Complex
Suman Sen, Wolfgang Frey, Jan Meisner, Johannes Kästner, and Micheal R. Buchmeiser, J. Organomet. Chem. 799, 223 (2015)

  2.

A Quadratically-Converging Nudged Elastic Band Optimizer
Matthias U. Bohner, Jan Meisner, and Johannes Kästner J. Chem. Theory Comput. 9, 3498 (2013)

 

1.

Kinetic Isotope Effects Calculated with the Instanton Method
Jan Meisner, Judith B. Rommel and Johannes Kästner J. Comput. Chem. 32, 3456 (2011)