230 citations · 392 across the 7 of their papers we have counts for
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Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory
Jan Meisner, Max N. Markmeyer, Matthias U. Bohner +1
Atom tunneling in the hydrogen atom transfer reaction of the 2,4,6-tri-tert-butylphenyl radical to 3,5-di-tert-butylneophyl, which has a short but strongly curved reaction path, wa…
Vibrational analysis of methyl cation - rare gas atom complexes: CH-Rg (Rg=He, Ne, Ar, Kr)
Jan Meisner, Philipp P. Hallmen, Johannes Kästner +1
The vibrational spectra of simple CH-Rg (Rg=He, Ne, Ar, Kr) complexes have been studied by vibrational configuration interaction (VCI) theory relying on multidimensional pote…
Dual-Level Approach to Instanton Theory
Jan Meisner, Johannes Kästner
Instanton theory is an established method to calculate rate constants of chemical reactions including atom tunneling. Technical and methodological improvements increased its applic…
Atom-Tunneling in Chemistry
Jan Meisner, Johannes Kästner
Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom-tunneling can be indirectly detected by…
Reaction Rates and Kinetic Isotope Effects of H + OH HO + H
Jan Meisner, Johannes Kästner
We calculated reaction rate constants including atom tunneling of the reaction of dihydrogen with the hydroxy radical down to a temperature of 50 K. Instanton theory and canonical…