| Theory Finally Agrees with Experiment for the Dynamics of the Cl + C2H6 Reaction D Papp, V Tajti, T Győri, G Czakó The Journal of Physical Chemistry Letters 11 (12), 4762-4767, 2020 | 32 | 2020 |
| Complex rovibrational dynamics of the Ar· NO+ complex D Papp, J Sarka, T Szidarovszky, AG Császár, E Mátyus, M Hochlaf, ... Physical Chemistry Chemical Physics 19 (12), 8152-8160, 2017 | 23 | 2017 |
| First-Principles reaction dynamics beyond six-atom systems G Czakó, T Győri, D Papp, V Tajti, DA Tasi The Journal of Physical Chemistry A 125 (12), 2385-2393, 2021 | 22 | 2021 |
| Exact quantum dynamics background of dispersion interactions: case study for CH 4· Ar in full (12) dimensions G Avila, D Papp, G Czakó, E Mátyus Physical Chemistry Chemical Physics 22 (5), 2792-2802, 2020 | 21 | 2020 |
| Detailed benchmark ab initio mapping of the potential energy surfaces of the X+ C 2 H 6 [X= F, Cl, Br, I] reactions D Papp, B Gruber, G Czakó Physical Chemistry Chemical Physics 21 (1), 396-408, 2019 | 20 | 2019 |
| Full-dimensional MRCI-F12 potential energy surface and dynamics of the F (2P3/2)+ C2H6→ HF+ C2H5 reaction D Papp, G Czakó The Journal of Chemical Physics 153 (6), 2020 | 19 | 2020 |
| Benchmark ab initio and dynamical characterization of the stationary points of reactive atom+ alkane and SN 2 potential energy surfaces G Czakó, T Győri, B Olasz, D Papp, I Szabó, V Tajti, DA Tasi Physical Chemistry Chemical Physics 22 (8), 4298-4312, 2020 | 19 | 2020 |
| A general variational approach for computing rovibrational resonances of polyatomic molecules. Application to the weakly bound H2He+ and H2⋅ CO systems D Papp, T Szidarovszky, AG Császár The Journal of chemical physics 147 (9), 2017 | 19 | 2017 |
| Vibrational mode-specificity in the dynamics of the Cl+ C2H6→ HCl+ C2H5 reaction D Papp, J Li, H Guo, G Czakó The Journal of Chemical Physics 155 (11), 2021 | 18 | 2021 |
| Facilitated inversion complicates the stereodynamics of an SN 2 reaction at nitrogen center D Papp, G Czakó Chemical Science 12 (15), 5410-5418, 2021 | 15 | 2021 |
| Rovibrational Resonances in H2He+ D Papp, AG Császár, K Yamanouchi, T Szidarovszky Journal of Chemical Theory and Computation 14 (3), 1523-1533, 2018 | 15 | 2018 |
| Vibrational mode-specific dynamics of the F (2P3/2)+ C2H6→ HF+ C2H5 reaction D Papp, G Czakó The Journal of Chemical Physics 155 (15), 2021 | 14 | 2021 |
| Four faces of the interaction between ions and aromatic rings D Papp, P Rovó, I Jákli, AG Császár, A Perczel Journal of Computational Chemistry 38 (20), 1762-1773, 2017 | 10 | 2017 |
| The role of entropy in initializing the aggregation of peptides: a first principle study on oligopeptide oligomerization G Pohl, I Jákli, IG Csizmadia, D Papp, GF Matías, A Perczel Physical Chemistry Chemical Physics 14 (4), 1507-1516, 2012 | 7 | 2012 |
| Rotational Mode-Specificity in the Cl + C2H6 → HCl + C2H5 Reaction D Papp, G Czakó The Journal of Physical Chemistry A 126 (16), 2551-2560, 2022 | 6 | 2022 |
| Alternating Stereospecificity upon Central‐Atom Change: Dynamics of the F−+PH2Cl SN2 Reaction Compared to its C‐ and N‐Centered Analogues A Giricz, G Czakó, D Papp Chemistry–A European Journal 29 (58), e202302113, 2023 | 3 | 2023 |
| Structural Water Stabilizes Protein Motifs in Liquid Protein Phase: The Folding Mechanism of Short β-Sheets Coupled to Phase Transition D Papp, IC Szigyártó, B Nordén, A Perczel, T Beke-Somfai International Journal of Molecular Sciences 22 (16), 8595, 2021 | 3 | 2021 |
| CH4·F− revisited: full-dimensional ab initio potential energy surface and variational vibrational states D Papp, V Tajti, G Avila, E Mátyus, G Czakó Molecular Physics 121 (11-12), e2113565, 2023 | 1 | 2023 |
| 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 B Ballay, T Szűcs, D Papp, G Czakó Physical Chemistry Chemical Physics 25 (42), 28925-28940, 2023 | 1 | 2023 |
| Imaging the Ion–Molecule Reaction Dynamics of O– + CD4 A Ayasli, P Tóth, T Michaelsen, T Gstir, F Zappa, D Papp, G Czakó, ... The Journal of Physical Chemistry A, 2024 | | 2024 |
