Vissza |
Papp Dóra; Tajti Viktor; Avila Blanco Gustavo; Mátyus Edit; Czakó Gábor:
CH 4 ·F − revisited: full-dimensional ab initio potential energy surface and variational vibrational states.
MOLECULAR PHYSICS, 121 (11-12).
ISSN 0026-8976
(2023)
Gruber Balázs; Tajti Viktor; Czakó Gábor:
Full-dimensional automated potential energy surface development and dynamics for the OH + C 2 H 6 reaction.
JOURNAL OF CHEMICAL PHYSICS, 157 (7).
ISSN 0021-9606
(2022)
Yin Cangtao; Tajti Viktor; Czakó Gábor:
Full-dimensional potential energy surface development and dynamics for the HBr + C2H5 → Br(2P3/2) + C2H6 reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24 (40).
pp. 24784-24792.
ISSN 1463-9076
(2022)
Tajti Viktor; Czakó Gábor:
Vibrational mode-specific dynamics of the F- + CH3CH2Cl multi-channel reaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24 (14).
pp. 8166-8181.
ISSN 1463-9076
(2022)
Meyer Jennifer; Tajti Viktor; Carrascosa Eduardo; Győri Tibor; Stei Martin; Michaelsen Tim; Bastian Björn; Czakó Gábor; Wester Roland:
Atomistic dynamics of elimination and nucleophilic substitution disentangled for the F- + CH3CH2Cl reaction.
NATURE CHEMISTRY, 13 (10).
pp. 977-981.
ISSN 1755-4330
(2021)
Tajti Viktor; Győri Tibor; Czakó Gábor:
Detailed quasiclassical dynamics of the F − + CH 3 Br reaction on an ab initio analytical potential energy surface.
JOURNAL OF CHEMICAL PHYSICS, 155 (12).
Terjedelem: 11-Azonosító: 124301.
ISSN 0021-9606
(2021)
Czakó Gábor; Győri Tibor; Papp Dóra; Tajti Viktor; Tasi Domonkos Attila:
First-Principles Reaction Dynamics beyond Six-Atom Systems.
JOURNAL OF PHYSICAL CHEMISTRY A, 125 (12).
pp. 2385-2393.
ISSN 1089-5639
(2021)
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)
Papp Paszkál; Tajti Viktor; Czakó Gábor:
Numerical separation of the front-side attack and double-inversion retention pathways of SN2 reactions.
CHEMICAL PHYSICS LETTERS, 755.
Azonosító: 137780-Terjdelem: 7 p.
ISSN 0009-2614
(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)
Tajti Viktor; Czakó Gábor:
Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the F- + CH3CH2CI Reaction.
JOURNAL OF PHYSICAL CHEMISTRY A, 121 (14).
pp. 2847-2854.
ISSN 1089-5639
(2017)