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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
Adress Universität Stuttgart
Institut für Theoretische Chemie
Pfaffenwaldring 55
D-70569 Stuttgart
Jung
Chemiker
Forum
www.jcf-stuttgart.de
Schmiede www.der-schmied.net

 

 

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:

13.

High Oxidation State Molybdenum N-Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies and Reactivity
M. Koy, J. Meisner, K. Wurst, W. Frey, J. Kästner,M. R. Buchmeiser, Chem. Eur. J., in press (2017)
DOI: 10.1002/chem.201703313/

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 TheoryJan 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”D. Brodbeck, F. Broghammer, J. Meisner, J. Klepp, D. Garnier, W. Frey, J.Kästner, R. 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.
D. Brodbeck, F. Broghammer, J. Meisner, J. Klepp, D. Garnier, W. Frey, J.Kästner, R. 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 ChemistryJan 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” Morgane 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, 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 MethodJan Meisner, Judith B. Rommel and Johannes Kästner J. Comput. Chem. 32, 3456 (2011)