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Győri, Tibor, Czakó, Gábor:
Automating the Development of High-Dimensional Reactive Potential Energy Surfaces with the robosurfer Program System.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 16 (1).
pp. 51-66.
ISSN 1549-9618
(2020)
Czakó, Gábor, Győri, Tibor, Olasz, Balázs, Papp, Dóra, Szabó, István, Tajti, Viktor, Tasi, Domonkos Attilaó:
Benchmark ab initio and dynamical characterization of the stationary points of reactive atom + alkane and S N 2 potential energy surfaces.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (8).
pp. 4298-4312.
ISSN 1463-9076
(2020)
Tasi, Domonkos Attilaó, Győri, Tibor, Czakó, Gábor:
On the development of a gold-standard potential energy surface for the OH − + CH 3 I reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22 (7).
pp. 3775-3778.
ISSN 1463-9076
(2020)
Papp, Dóra, Tajti, Viktor, Győri, Tibor, Czakó, Gábor:
Theory Finally Agrees with Experiment for the Dynamics of the Cl + C 2 H 6 Reaction.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 11 (12).
pp. 4762-4767.
ISSN 1948-7185
(2020)
Győri, Tibor, Olasz, Balázs, Paragi, Gábor, Czakó, Gábor:
Effects of the Level of Electronic Structure Theory on the Dynamics of the F- + CH3I Reaction.
JOURNAL OF PHYSICAL CHEMISTRY A, 122 (13).
pp. 3353-3364.
ISSN 1089-5639
(2018)