Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Robin Bardakcioglu"'
Publikováno v:
Physica D: Nonlinear Phenomena
The rate of a chemical reaction can often be determined by the properties of a rank-1 saddle and the associated transition state separating reactants and products. We have found evidence that such rates can be controlled and even enhanced by external
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a885b38fe48e0f5d579714c53625c16f
Publikováno v:
Physical Review E
Recent work has shown that in a non-thermal, multidimensional system, the trajectories in the activated complex possess different instantaneous and time-averaged reactant decay rates. Under dissipative dynamics, it is known that these trajectories, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::edd85da5793083e3eaf2582479393727
https://pubmed.ncbi.nlm.nih.gov/33466091
https://pubmed.ncbi.nlm.nih.gov/33466091
Publikováno v:
The Journal of Chemical Physics
Chemical reactions in multidimensional driven systems are typically described by a time-dependent rank-1 saddle associated with one reaction and several orthogonal coordinates (including the solvent bath). To investigate reactions in such systems, we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db66c77eb10c4226a5fd3e243fb6e3e2
http://arxiv.org/abs/2002.00475
http://arxiv.org/abs/2002.00475
Autor:
Rigoberto Hernandez, Johannes Reiff, Matthias Feldmaier, Robin Bardakcioglu, Philippe Schraft, Martin Tschöpe, Andrej Junginger, Thomas Bartsch, Jörg Main, Melissa Lober
Publikováno v:
The Journal of Physical Chemistry B
Reaction rates of chemical reactions under nonequilibrium conditions can be determined through the construction of the normally hyperbolic invariant manifold (NHIM) [and moving dividing surface (DS)] associated with the transition state trajectory. H
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6659da4773bad5bdded068c5a14b5efd
http://arxiv.org/abs/1903.06966
http://arxiv.org/abs/1903.06966
Autor:
Philippe Schraft, Robin Bardakcioglu, Matthias Feldmaier, Günter Wunner, Rigoberto Hernandez, Jörg Main, Andrej Junginger
Publikováno v:
Physical Review E
In a dynamical system, the transition between reactants and products is typically mediated by an energy barrier whose properties determine the corresponding pathways and rates. The latter is the flux through a dividing surface (DS) between the two co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5adb78ac03f2d3320acad4ee22d1c8d0
http://arxiv.org/abs/1712.07324
http://arxiv.org/abs/1712.07324
Publikováno v:
Physical Review E
Transition state theory formally provides a simplifying approach for determining chemical reaction rates and pathways. Given an underlying potential energy surface for a reactive system, one can determine the dividing surface in phase space which sep
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2622d64b855c14fafdbf05536c8e820e