Gábor Czakó

ResearcherID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 82

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Faraday discussions

The Journal of chemical physics

University of Szeged

Eötvös University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Szeged Jul 01 2019

Hungary

Associate Professor

University of Szeged Aug 01 2015 - Jun 30 2019

Hungary

Assistant Professor

Eötvös University Dec 02 2011 - Jul 31 2015

Hungary

Research Associate

Emory University Jan 08 2008 - Dec 01 2011

United States

Postdoctoral Associate

Education History

Eötvös University Sep 01 2004 - Dec 31 2007

Hungary

PHD

Publications

Attila Á Dékány, Gábor Czakó
Detailed quasiclassical dynamics of the F - + SiH 3 Cl multi-channel reaction. Physical chemistry chemical physics : PCCP (2024)
Cangtao Yin, Gábor Czakó
Revealing new pathways for the reaction of Criegee intermediate CH 2 OO with SO 2 . Communications chemistry 7 (1) (2024)
András B Nacsa, Csenge Tokaji, Gábor Czakó
High-level analytical potential-energy-surface-based dynamics of the OH - + CH 3 CH 2 Cl S N 2 and E2 reactions in full (24) dimensions. Faraday discussions (2024)
Domonkos Attila Tasi, Gábor Czakó
Benchmark ab initio characterization of the complex potential energy surfaces of the HOO - + CH 3 Y [Y = F, Cl, Br, I] reactions. Physical chemistry chemical physics : PCCP 26 (22) (2024)
Dorina R Gál, Dóra Papp, Gábor Czakó
Benchmark ab initio characterization of the multi-channel Cl + CH 3 X [X = F, Cl, Br, I] reactive potential energy surfaces. Physical chemistry chemical physics : PCCP (2024)
Cangtao Yin, Gábor Czakó
Revealing new pathways for the reaction of Criegee intermediate CH 2 OO with SO 2 . Communications chemistry 7 (1) (2024)
Kitti Horváth, Viktor Tajti, Dóra Papp, Gábor Czakó
Dynamics of the HCl + C 2 H 5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface. The journal of physical chemistry. A 128 (22) (2024)
András B Nacsa, Csenge Tokaji, Gábor Czakó
High-level analytical potential-energy-surface-based dynamics of the OH - + CH 3 CH 2 Cl S N 2 and E2 reactions in full (24) dimensions. Faraday discussions (2024)
András B Nacsa, Csenge Tokaji, Gábor Czakó
High-level analytical potential-energy-surface-based dynamics of the OH - + CH 3 CH 2 Cl S N 2 and E2 reactions in full (24) dimensions. Faraday discussions 251 (0) (2024)
Gábor Czakó, Balázs Gruber, Dóra Papp, Viktor Tajti, Domonkos Attila Tasi, Cangtao Yin
First-principles mode-specific reaction dynamics. Physical chemistry chemical physics : PCCP 26 (22) (2024)
Atilay Ayasli, Petra Tóth, Tim Michaelsen, Thomas Gstir, Fabio Zappa, Dóra Papp, Gábor Czakó, Roland Wester
Imaging the Ion-Molecule Reaction Dynamics of O - + CD 4 . The journal of physical chemistry. A (2024)
Kitti Horváth, Viktor Tajti, Dóra Papp, Gábor Czakó
Dynamics of the HCl + C 2 H 5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface. The journal of physical chemistry. A 128 (22) (2024)
András B Nacsa, Csenge Tokaji, Gábor Czakó
High-level analytical potential-energy-surface-based dynamics of the OH - + CH 3 CH 2 Cl S N 2 and E2 reactions in full (24) dimensions. Faraday discussions 251 (0) (2024)
Atilay Ayasli, Petra Tóth, Tim Michaelsen, Thomas Gstir, Fabio Zappa, Dóra Papp, Gábor Czakó, Roland Wester
Imaging the Ion-Molecule Reaction Dynamics of O - + CD 4 . The journal of physical chemistry. A 128 (16) (2024)
Dorina R Gál, Dóra Papp, Gábor Czakó
Benchmark ab initio characterization of the multi-channel Cl + CH 3 X [X = F, Cl, Br, I] reactive potential energy surfaces. Physical chemistry chemical physics : PCCP 26 (25) (2024)
Gábor Czakó, Balázs Gruber, Dóra Papp, Viktor Tajti, Domonkos Attila Tasi, Cangtao Yin
First-principles mode-specific reaction dynamics. Physical chemistry chemical physics : PCCP (2024)
Kitti Horváth, Viktor Tajti, Dóra Papp, Gábor Czakó
Dynamics of the HCl + C 2 H 5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface. The journal of physical chemistry. A (2024)
Attila Á Dékány, Gábor Czakó
Detailed quasiclassical dynamics of the F - + SiH 3 Cl multi-channel reaction. Physical chemistry chemical physics : PCCP 26 (13) (2024)
Atilay Ayasli, Petra Tóth, Tim Michaelsen, Thomas Gstir, Fabio Zappa, Dóra Papp, Gábor Czakó, Roland Wester
Imaging the Ion-Molecule Reaction Dynamics of O - + CD 4 . The journal of physical chemistry. A 128 (16) (2024)
Atilay Ayasli, Petra Tóth, Tim Michaelsen, Thomas Gstir, Fabio Zappa, Dóra Papp, Gábor Czakó, Roland Wester
Imaging the Ion-Molecule Reaction Dynamics of O - + CD 4 . The journal of physical chemistry. A 128 (16) (2024)
Kitti Horváth, Viktor Tajti, Dóra Papp, Gábor Czakó
Dynamics of the HCl + C 2 H 5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface. The journal of physical chemistry. A 128 (22) (2024)
Gábor Czakó, Balázs Gruber, Dóra Papp, Viktor Tajti, Domonkos Attila Tasi, Cangtao Yin
First-principles mode-specific reaction dynamics. Physical chemistry chemical physics : PCCP 26 (22) (2024)
Domonkos Attila Tasi, Gábor Czakó
Benchmark ab initio characterization of the complex potential energy surfaces of the HOO - + CH 3 Y [Y = F, Cl, Br, I] reactions. Physical chemistry chemical physics : PCCP (2024)
Cangtao Yin, Gábor Czakó
Competition between the H-abstraction and the X-abstraction pathways in the HX (X = Br, I) + C 2 H 5 reactions. Physical chemistry chemical physics : PCCP (2023)
Cangtao Yin, Gábor Czakó
Full-dimensional automated potential energy surface development and detailed dynamics for the CH 2 OO + NH 3 reaction. Physical chemistry chemical physics : PCCP (2023)
András B Nacsa, Máté Kígyósi, Gábor Czakó
Protonation of serine: conformers, proton affinities and gas-phase basicities at the "gold standard" and beyond. Physical chemistry chemical physics : PCCP (2023)
Balázs Gruber, Viktor Tajti, Gábor Czakó
Vibrational Mode-Specific Dynamics of the OH + C 2 H 6 Reaction. The journal of physical chemistry. A (2023)
András B Nacsa, Máté Kígyósi, Gábor Czakó
Protonation of serine: conformers, proton affinities and gas-phase basicities at the "gold standard" and beyond. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Tibor Győri, Gábor Czakó
A comprehensive benchmark ab initio survey of the stationary points and products of the OH· + CH 3 OH system. The Journal of chemical physics 158 (3) (2023)
Tibor Győri, Gábor Czakó
A comprehensive benchmark ab initio survey of the stationary points and products of the OH· + CH 3 OH system. The Journal of chemical physics 158 (3) (2023)
Cangtao Yin, Gábor Czakó
Vibrational mode-specific quasi-classical trajectory studies for the two-channel HI + C 2 H 5 reaction. Physical chemistry chemical physics : PCCP (2023)
Balázs Gruber, Gábor Czakó
High-level ab initio mapping of the multiple H-abstraction pathways of the OH + glycine reaction. Physical chemistry chemical physics : PCCP (2023)
Cangtao Yin, Gábor Czakó
Theoretical vibrational mode-specific dynamics studies for the HBr + C 2 H 5 reaction. Physical chemistry chemical physics : PCCP (2023)
Thomas Gstir, Tim Michaelsen, Bryan A Long, András B Nacsa, Atilay Ayasli, Dasarath Swaraj, Fabio Zappa, Florian Trummer, Shaun G Ard, Nicholas S Shuman, Gábor Czakó, Albert A Viggiano, Roland Wester
The influence of fluorination on the dynamics of the F - + CH 3 CH 2 I reaction. Physical chemistry chemical physics : PCCP (2023)
András B Nacsa, Máté Kígyósi, Gábor Czakó
Protonation of serine: conformers, proton affinities and gas-phase basicities at the "gold standard" and beyond. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Balázs Gruber, Gábor Czakó
High-level ab initio mapping of the multiple H-abstraction pathways of the OH + glycine reaction. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Cangtao Yin, Gábor Czakó
Theoretical vibrational mode-specific dynamics studies for the HBr + C 2 H 5 reaction. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Attila Á Dékány, Gábor Czakó
Exploring the versatile reactivity of the F- + SiH3Cl system on a full-dimensional coupled-cluster potential energy surface. The Journal of chemical physics 158 (22) (2023)
Anett Giricz, Gábor Czakó, Dóra Papp
Alternating Stereospecificity upon Central-Atom Change: Dynamics of the F - +PH 2 Cl S N 2 Reaction Compared to its C- and N-Centered Analogues. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Domonkos Attila Tasi, Tim Michaelsen, Roland Wester, Gábor Czakó
Quasi-classical trajectory study of the OH - + CH 3 I reaction: theory meets experiment. Physical chemistry chemical physics : PCCP (2023)
András B Nacsa, Viktor Tajti, Gábor Czakó
Dynamics of the Cl- + CH3I reaction on a high-level ab initio analytical potential energy surface. The Journal of chemical physics 158 (19) (2023)
Cangtao Yin, Gábor Czakó
Theoretical vibrational mode-specific dynamics studies for the HBr + C 2 H 5 reaction. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Domonkos Attila Tasi, Tim Michaelsen, Roland Wester, Gábor Czakó
Quasi-classical trajectory study of the OH - + CH 3 I reaction: theory meets experiment. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Domonkos Attila Tasi, Tim Michaelsen, Roland Wester, Gábor Czakó
Quasi-classical trajectory study of the OH - + CH 3 I reaction: theory meets experiment. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Boldizsár Ballay, Tímea Szűcs, Dóra Papp, Gábor Czakó
Phosphorus-centered ion-molecule reactions: benchmark ab initio characterization of the potential energy surfaces of the X - + PH 2 Y [X, Y = F, Cl, Br, I] systems. Physical chemistry chemical physics : PCCP (2023)
Petra Tóth, Tímea Szűcs, Gábor Czakó
Benchmark Ab Initio Characterization of the Abstraction and Substitution Pathways of the Cl + CH 3 CN Reaction. The journal of physical chemistry. A 126 (18) (2022)
András B Nacsa, Gábor Czakó
Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine. The journal of physical chemistry. A (2022)
Cangtao Yin, Gábor Czakó
Automated full-dimensional potential energy surface development and quasi-classical dynamics for the HI(X 1 Σ + ) + C 2 H 5 → I( 2 P 3/2 ) + C 2 H 6 reaction. Physical chemistry chemical physics : PCCP 24 (47) (2022)
András B Nacsa, Gábor Czakó
Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine. The journal of physical chemistry. A 126 (51) (2022)
Tímea Szűcs, Gábor Czakó
Benchmark ab initio potential energy surface mapping of the F + CH 3 NH 2 reaction. Physical chemistry chemical physics : PCCP 24 (34) (2022)
András B Nacsa, Gábor Czakó
Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine. The journal of physical chemistry. A 126 (51) (2022)
Cangtao Yin, Viktor Tajti, Gábor Czakó
Full-dimensional potential energy surface development and dynamics for the HBr + C 2 H 5 → Br( 2 P 3/2 ) + C 2 H 6 reaction. Physical chemistry chemical physics : PCCP 24 (40) (2022)
Zsolt Kerekes, Domonkos Attila Tasi, Gábor Czakó
S N 2 Reactions with an Ambident Nucleophile: A Benchmark Ab Initio Study of the CN - + CH 3 Y [Y = F, Cl, Br, and I] Systems. The journal of physical chemistry. A 126 (6) (2022)
András B Nacsa, Gábor Czakó
Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine. The journal of physical chemistry. A 126 (51) (2022)
András B Nacsa, Gábor Czakó
Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine. The journal of physical chemistry. A 126 (51) (2022)
Dóra Papp, Gábor Czakó
Rotational Mode-Specificity in the Cl + C 2 H 6 → HCl + C 2 H 5 Reaction. The journal of physical chemistry. A 126 (16) (2022)
Viktor Tajti, Gábor Czakó
Vibrational mode-specific dynamics of the F - + CH 3 CH 2 Cl multi-channel reaction. Physical chemistry chemical physics : PCCP 24 (14) (2022)
Attila Á Dékány, Gábor Czakó
Benchmark ab initio proton affinity and gas-phase basicity of α-alanine based on coupled-cluster theory and statistical mechanics. Journal of computational chemistry 43 (1) (2021)
Jennifer Meyer, Viktor Tajti, Eduardo Carrascosa, Tibor Győri, Martin Stei, Tim Michaelsen, Björn Bastian, Gábor Czakó, Roland Wester
Atomistic dynamics of elimination and nucleophilic substitution disentangled for the F- + CH3CH2Cl reaction. Nature chemistry 13 (10) (2021)
Gábor Czakó, Tibor Győri, Dóra Papp, Viktor Tajti, Domonkos Attila Tasi
First-Principles Reaction Dynamics beyond Six-Atom Systems. The journal of physical chemistry. A 125 (12) (2021)
Dóra Papp, Gábor Czakó
Facilitated inversion complicates the stereodynamics of an SN2 reaction at nitrogen center. Chemical science 12 (15) (2021)
Attila Á Dékány, Gyula Z Kovács, Gábor Czakó
High-Level Systematic Ab Initio Comparison of Carbon- and Silicon-Centered SN2 Reactions. The journal of physical chemistry. A 125 (44) (2021)
Domonkos Attila Tasi, Gábor Czakó
Uncovering an oxide ion substitution for the OH- + CH3F reaction. Chemical science 12 (43) (2021)
Tibor Győri, Gábor Czakó
Automating the Development of High-Dimensional Reactive Potential Energy Surfaces with the robosurfer Program System. Journal of chemical theory and computation 16 (1) (2020)
Erik M Orján, András B Nacsa, Gábor Czakó
Conformers of dehydrogenated glycine isomers. Journal of computational chemistry 41 (22) (2020)
Dóra Papp, Viktor Tajti, Tibor Győri, Gábor Czakó
Theory Finally Agrees with Experiment for the Dynamics of the Cl + C2H6 Reaction. The journal of physical chemistry letters 11 (12) (2020)
Paszkál Papp, Gábor Czakó
Rotational Mode Specificity in the F- + CH3I(v = 0, JK) SN2 and Proton-Transfer Reactions. The journal of physical chemistry. A 124 (43) (2020)
Gustavo Avila, Dóra Papp, Gábor Czakó, Edit Mátyus
Exact quantum dynamics background of dispersion interactions: case study for CH4·Ar in full (12) dimensions. Physical chemistry chemical physics : PCCP 22 (5) (2020)
Balázs Olasz, Gábor Czakó
High-Level-Optimized Stationary Points for the F-(H2O) + CH3I System: Proposing a New Water-Induced Double-Inversion Pathway. The journal of physical chemistry. A 123 (2) (2019)
Domonkos Attila Tasi, Zita Fábián, Gábor Czakó
Rethinking the X- + CH3Y [X = OH, SH, CN, NH2, PH2; Y = F, Cl, Br, I] SN2 reactions. Physical chemistry chemical physics : PCCP 21 (15) (2019)
Domonkos A Tasi, Zita Fábián, Gábor Czakó
Benchmark ab Initio Characterization of the Inversion and Retention Pathways of the OH- + CH3Y [Y = F, Cl, Br, I] SN2 Reactions. The journal of physical chemistry. A 122 (26) (2018)
Bálint Hajdu, Gábor Czakó
Benchmark ab Initio Characterization of the Complex Potential Energy Surfaces of the X- + NH2Y [X, Y = F, Cl, Br, I] Reactions. The journal of physical chemistry. A 122 (7) (2018)
Dóra Papp, Balázs Gruber, Gábor Czakó
Detailed benchmark ab initio mapping of the potential energy surfaces of the X + C2H6 [X = F, Cl, Br, I] reactions. Physical chemistry chemical physics : PCCP 21 (1) (2018)
Martin Stei, Eduardo Carrascosa, Alexander D Dörfler, Jennifer Meyer, Balázs Olasz, Gábor Czakó, Anyang Li, Hua Guo, Roland Wester
Stretching vibration is a spectator in nucleophilic substitution. Science advances 4 (7) (2018)
Tibor Győri, Balázs Olasz, Gabor Paragi, Gábor Czakó
Effects of the Level of Electronic Structure Theory on the Dynamics of the F- + CH3I Reaction. The journal of physical chemistry. A 122 (13) (2018)
Balázs Olasz, Gábor Czakó
Mode-Specific Quasiclassical Dynamics of the F- + CH3I SN2 and Proton-Transfer Reactions. The journal of physical chemistry. A 122 (41) (2018)
István Szabó, Gábor Czakó
Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the Cl- + CH3I Reaction. The journal of physical chemistry. A 121 (30) (2017)
Viktor Tajti, Gábor Czakó
Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the F- + CH3CH2Cl Reaction. The journal of physical chemistry. A 121 (14) (2017)
László Krotos, Gábor Czakó
Does the Cl + CH4 → H + CH3Cl Reaction Proceed via Walden Inversion? The journal of physical chemistry. A 121 (49) (2017)
Balázs Olasz, István Szabó, Gábor Czakó
High-level ab initio potential energy surface and dynamics of the F- + CH3I SN2 and proton-transfer reactions. Chemical science 8 (4) (2017)
István Szabó, Gábor Czakó
Dynamics and Novel Mechanisms of SN2 Reactions on ab Initio Analytical Potential Energy Surfaces. The journal of physical chemistry. A 121 (47) (2017)
István Szabó, Balázs Olasz, Gábor Czakó
Deciphering Front-Side Complex Formation in SN2 Reactions via Dynamics Mapping. The journal of physical chemistry letters 8 (13) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Gábor Czakó