Dynamics of the HCl + C2H5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface
Horváth, Kitti, Tajti, Viktor, Papp, Dóra, Czakó, Gábor
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.06.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.06.2024)
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Journal Article
Imaging the Ion–Molecule Reaction Dynamics of O– + CD4
Ayasli, Atilay, Tóth, Petra, Michaelsen, Tim, Gstir, Thomas, Zappa, Fabio, Papp, Dóra, Czakó, Gábor, Wester, Roland
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.04.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.04.2024)
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Journal Article
Theory Finally Agrees with Experiment for the Dynamics of the Cl + C2H6 Reaction
Papp, Dóra, Tajti, Viktor, Győri, Tibor, Czakó, Gábor
Published in The journal of physical chemistry letters (18.06.2020)
Published in The journal of physical chemistry letters (18.06.2020)
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Journal Article
Phosphorus-centered ion–molecule reactions: benchmark ab initio characterization of the potential energy surfaces of the X− + PH2Y [X, Y = F, Cl, Br, I] systems
Ballay, Boldizsár, Szűcs, Tímea, Papp, Dóra, Czakó, Gábor
Published in Physical chemistry chemical physics : PCCP (01.11.2023)
Published in Physical chemistry chemical physics : PCCP (01.11.2023)
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Journal Article
First-principles mode-specific reaction dynamics
Czakó, Gábor, Gruber, Balázs, Papp, Dóra, Tajti, Viktor, Tasi, Domonkos A, Yin, Cangtao
Published in Physical chemistry chemical physics : PCCP (06.06.2024)
Published in Physical chemistry chemical physics : PCCP (06.06.2024)
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Journal Article
Benchmark ab initio and dynamical characterization of the stationary points of reactive atom + alkane and SN2 potential energy surfaces
Czakó, Gábor, Győri, Tibor, Olasz, Balázs, Papp, Dóra, Szabó, István, Tajti, Viktor, Tasi, Domonkos A
Published in Physical chemistry chemical physics : PCCP (28.02.2020)
Published in Physical chemistry chemical physics : PCCP (28.02.2020)
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Journal Article
Structural Water Stabilizes Protein Motifs in Liquid Protein Phase: The Folding Mechanism of Short β-Sheets Coupled to Phase Transition
Papp, Dóra, Szigyártó, Imola Csilla, Nordén, Bengt, Perczel, András, Beke-Somfai, Tamás
Published in International journal of molecular sciences (10.08.2021)
Published in International journal of molecular sciences (10.08.2021)
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Journal Article
Rovibrational Resonances in H2He
Papp, Dóra, Császár, Attila G, Yamanouchi, Kaoru, Szidarovszky, Tamás
Published in Journal of chemical theory and computation (13.03.2018)
Published in Journal of chemical theory and computation (13.03.2018)
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Journal Article