Dóra Papp

15PUBLICATIONS
12CO-AUTHORS
Radiation and matterTheoretical quantum chemistryReaction kinetics and dynamicsMolecular imaging (incl. electron microscopy and neutron diffraction)Chemical thermodynamics and energetics
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Publications (15)

|Sep 26, 2026
Controlling the Stereodynamics of the F- + NH2Cl SN2 Reaction by Vibrational Excitation: A Quasi-Classical Study.

|Jun 01, 2026
Leaving-Group Effects in SN2@P: Potential Energy Surface and Dynamics of the F - + PH2I Reaction Compared to Its Cl - ‑Leaving-Group Analogue.

|Mar 08, 2025
A dynamic isotope effect in the nucleophilic substitution reaction between F- and CD3I.

Atilay Ayasli, Arnab Khan, Thomas Gstir

|Jun 13, 2024
Benchmark ab initio characterization of the multi-channel Cl + CH3X [X = F, Cl, Br, I] reactive potential energy surfaces.

Dorina R Gál, Dóra Papp, Gábor Czakó

|May 29, 2024
Dynamics of the HCl + C2H5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface.

Kitti Horváth, Viktor Tajti, Dóra Papp

|Apr 19, 2024
First-principles mode-specific reaction dynamics.

Gábor Czakó, Balázs Gruber, Dóra Papp

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Frequent Collaborators

15 joint publications

Gábor Czakó

3 joint publications

Viktor Tajti

2 joint publications

Tibor Győri

2 joint publications

Domonkos A Tasi