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Publications

2022

A multi-stage single photochrome system for controlled photoswitching responses
F Stricker, DM Sanchez, U Raucci, ND Dolinski, MS Zayas, J Meisner, CJ Hawker, TJ ​​​​​​Martínez, JR Alainz
Nat. Chem., 14, 942–948, 2022

2021

Proton Transfer from a Photoacid to a Water Wire: First Principles Simulations and Fast Fluorescence Spectroscopy
AR Walker, B Wu, J Meisner, MD Fayer TJ Martínez
J. Phys. Chem. B 125, (45), 12539–12551, 2021

Understanding the Mechanochemistry of Ladder-Type Cyclobutane Mechanophores by Single Molecule Force Spectroscopy
M Horst, J Yang, J Meisner, TB Kouznetsova, TJ Martínez, SL Craig, Y Xia
J. Am. Chem. Soc., 143, (31), 12328–12334, 2021

Flyby reaction trajectories: Chemical dynamics under extrinsic force
Y Liu, S Holm, J Meisner, Y Jia, Q Wu, TJ Woods, TJ Martinez, JS Moore
Science 373 (6551), 208-212, 2021

Electrostatic Control of Photoisomerization in Channelrhodopsin 2
R Liang, JK Yu, J Meisner, F Liu, TJ Martinez
J. Am. Chem. Soc. 143 (14), 5425-5437, 2021

Substituent Effects in Mechanochemical Allowed and Forbidden Cyclobutene Ring-Opening Reactions
CL Brown, BH Bowser, J Meisner, TB Kouznetsova, S Seritan, TJ Martinez, SL Craig
J. Am. Chem. Soc. 143 (10), 3846-3855, 2021

2020

Proton Transfer Dynamics in the Aprotic Proton Accepting Solvent 1-Methylimidazole
JE Thomaz, AR Walker, SJ Van Wyck, J Meisner, TJ Martinez, MD Fayer
J. Phys. Chem. B124 (36), 7897–7908, 2020

Revisiting the reactivity between HCO and CH3 on interstellar grain surfaces
J Enrique-Romero, S Álvarez-Barcia, FJ Kolb, A Rimola, C Ceccarelli, N Balucani, J Meisner, P Ugliengo, T Lamberts, J Kästner
Mon. Not. R. Astron. Soc. 493 (2), 2523-2527, 2020

2019

Molybdenum and Tungsten Alkylidyne Complexes Containing Mono-, Bi-, and Tridentate N-Heterocyclic Carbenes
Iris Elser, Jonas Groos, Philipp M Hauser, Maximilian Koy, Melita van der Ende, Dongren Wang, Wolfgang Frey, Klaus Wurst, Jan Meisner, Felix Ziegler, Johannes Kästner, Michael R Buchmeiser
Organometallics 38 (21) 4133–4146, 2019

Computational discovery of the origins of life
Jan Meisner, Xiaolei Zhu, Todd J Martínez
ACS Cent. Sci. 5 (9) 1493–1495, 2019

The role of atom tunneling in gas-phase reactions in planet-forming disks
Jan Meisner, Inga E.E. Kamp, Wing-Fai Thi, Johannes Kästner
Astron. Astrophys, 627, A45, 2019

Vibrational analysis of methyl cation—Rare gas atom complexes: CH3+—Rg (Rg = He, Ne, Ar, Kr
Jan Meisner, Philipp P Hallmen, Johannes Kästner, Guntram Rauhut
J. Chem. Phys. 150, 084306, 2019

Asymmetric Carboxycyanation of Aldehydes by Cooperative AlF/Onium Salt Catalysts: from Cyanoformate to KCN as Cyanide Source
Daniel Brodbeck, Sonia Álvarez‐Barcia, Jan Meisner, Florian Broghammer, Julian Klepp, Delphine Garnier, Wolfgang Frey, Johannes Kästner, René Peters
Chemistry–A European Journal 25 (6), 1515-1524, 2019

HOCO formation in astrochemical environments by radical-induced H-abstraction from formic acid
Max N Markmeyer, Thanja Lamberts, Jan Meisner, Johannes Kästner
Mon. Not. R. Astron. Soc. 492 (1), 293-300, 2019

2018

Dual-level approach to instanton theory
Jan Meisner, Jan Kästner
J. Chem. Theory Comput 14 (4), 1865-1872, 2018

The Lewis Pair Polymerization of Lactones Using Metal Halides and N-Heterocyclic Olefins: Theoretical Insights
Jan Meisner, Johannes Karwounopoulos, Patrick Walther, Johannes Kästner, Stefan Naumann"
Molecules 23 (2), 432, 2018

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, René Peters
Angew. Chem. 57 (5), 1404-1408, 2018

2017

Support for a dioxyallyl cation in the mechanism leading to (−)-levoglucosenone
Ben W Greatrex, Jan Meisner, Steven A Glover, Warwick Raverty
J. Org. Chem 82 (23), 12294-12299, 2017

High Oxidation State Molybdenum N‐Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies, and Reactivity
Maximilian Koy, Iris Elser, Jan Meisner, Wolfgang Frey, Klaus Wurst, Johannes Kästner, Michael R Buchmeiser
Chem. Eur. J 23 (61), 15484-15490, 2017

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

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, René Peters
Angew. Chem. 56 (14), 4056-4060, 2017

Asymmetric ketone reduction by imine reductases
Maike Lenz, Jan Meisner, Leann Quertinmont, Stefan Lutz, Johannes Kästner, Bettina M Nestl
ChemBioChem 18 (3), 253-256, 2017

Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory
Jan Meisner, Max N Markmeyer, Matthias U Bohner, Johannes Kästner
Phys. Chem. Chem. Phys. 19 (34), 23085-23094, 2017

2016

Atom tunnelling in the reaction NH3++ H2→ NH4++ H and its astrochemical relevance
Sonia Álvarez-Barcia, Marie-Sophie Russ, Jan Meisner, Johannes Kästner
Faraday discussions 195, 69-80, 2016

Reaction rates and kinetic isotope effects of H {sub 2}+ OH→ H {sub 2} O+ H
Jan Meisner, Johannes Kästner
J. Chem. Phys 144 (17), 174303, 2016

Atom tunneling in chemistry
Jan Meisner, Johannes Kästner
Angew. Chem. 55 (18), 5400-5413, 2016

2015

An anionic molybdenum amidato bisalkyl alkylidyne complex
Suman Sen, Wolfgang Frey, Jan Meisner, Johannes Kästner, Michael R Buchmeiser
J. Organomet. Chem 799, 223-225, 2015

Geometric rotation of the nuclear gradient at a conical intersection: extension to complex rotation of diabatic states
Jan Meisner, Morgane Vacher, Michael J Bearpark, Michael A Robb
J. Chem. Theory Comput. 11 (7), 3115-3122, 2015

Electronic control of initial nuclear dynamics adjacent to a conical intersection
Morgane Vacher, Jan Meisner, David Mendive-Tapia, Michael J Bearpark, Michael A Robb
J. Phys. Chem. A 119 (21), 5165-5172, 2015

2013

A quadratically-converging nudged elastic band optimizer
Matthias U Bohner, Jan Meisner, Johannes Kästner
J. Chem. Theory Comput. 9 (8), 3498-3504, 2013

2011

Kinetic isotope effects calculated with the instanton method
Jan Meisner, Judith B Rommel, Johannes Kästner
J. Comput. Chem. 32 (16), 3456-3463, 2011

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