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Invariant Manifolds and Rate Constants in Driven Chemical Reactions.
Feldmaier M, Schraft P, Bardakcioglu R, Reiff J, Lober M, Tschöpe M, Junginger A, Main J, Bartsch T, Hernandez R. Feldmaier M, et al. Among authors: bartsch t. J Phys Chem B. 2019 Mar 7;123(9):2070-2086. doi: 10.1021/acs.jpcb.8b10541. Epub 2019 Feb 20. J Phys Chem B. 2019. PMID: 30730733
Communication: Transition state trajectory stability determines barrier crossing rates in chemical reactions induced by time-dependent oscillating fields.
Craven GT, Bartsch T, Hernandez R. Craven GT, et al. Among authors: bartsch t. J Chem Phys. 2014 Jul 28;141(4):041106. doi: 10.1063/1.4891471. J Chem Phys. 2014. PMID: 25084872
Specifically, strong agreement is observed between the difference in the Floquet exponents describing stability of the transition state trajectory, which defines a recrossing-free dividing surface [G. T. Craven, T. Bartsch, and R. Hernandez, "Persistence of t …
Specifically, strong agreement is observed between the difference in the Floquet exponents describing stability of the transition state traj …
Chemical reactions induced by oscillating external fields in weak thermal environments.
Craven GT, Bartsch T, Hernandez R. Craven GT, et al. Among authors: bartsch t. J Chem Phys. 2015 Feb 21;142(7):074108. doi: 10.1063/1.4907590. J Chem Phys. 2015. PMID: 25702003 Free article.
For a periodically forced model reaction, we develop a recrossing-free dividing surface that is attached to a transition state trajectory [T. Bartsch, R. Hernandez, and T. Uzer, Phys. Rev. Lett. 95, 058301 (2005)]. We have previously shown that for single-mod …
For a periodically forced model reaction, we develop a recrossing-free dividing surface that is attached to a transition state trajectory [ …
Transition state in a noisy environment.
Bartsch T, Hernandez R, Uzer T. Bartsch T, et al. Phys Rev Lett. 2005 Jul 29;95(5):058301. doi: 10.1103/PhysRevLett.95.058301. Epub 2005 Jul 25. Phys Rev Lett. 2005. PMID: 16090923
165 results