Items where Author is " Győri Tibor"

Number of items: 10.

Győri Tibor and Czakó Gábor: A comprehensive benchmark ab initio survey of the stationary points and products of the OH· + CH3OH system.
JOURNAL OF CHEMICAL PHYSICS, 158 (3). ISSN 0021-9606 (2023)

Győri Tibor and Czakó Gábor: ManyHF: A pragmatic automated method of finding lower-energy Hartree–Fock solutions for potential energy surface development.
JOURNAL OF CHEMICAL PHYSICS, 156 (7). Terjedelem: 6 p.-Azonosító: 071101. ISSN 0021-9606 (2022)

Meyer Jennifer and Tajti Viktor and Carrascosa Eduardo and Győri Tibor and Stei Martin and Michaelsen Tim and Bastian Björn and Czakó Gábor and 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 and Győri Tibor and 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 and Győri Tibor and Papp Dóra and Tajti Viktor and 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)

Győri Tibor and 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 and Győri Tibor and Olasz Balázs and Papp Dóra and Szabó István and Tajti Viktor and 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 and Győri Tibor and 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 and Tajti Viktor and Győri Tibor and 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 and Olasz Balázs and Paragi Gábor and 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)

This list was generated on 2024. június 20. 06:00:50 CEST.