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Dóra Papp

14PUBLICATIONS
12CO-AUTHORS
Theoretical quantum chemistryReaction kinetics and dynamicsRadiation and matterMolecular imaging (incl. electron microscopy and neutron diffraction)Chemical thermodynamics and energetics
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Journal

Publications (14)

Sort by Publication Date:
|Jun 01, 2026
Leaving-Group Effects in S<sub>N</sub>2@P: Potential Energy Surface and Dynamics of the F <b><sup>-</sup></b> + PH<sub>2</sub>I Reaction Compared to Its Cl <b><sup>-</sup></b> ‑Leaving-Group Analogue.

|Mar 08, 2025
A dynamic isotope effect in the nucleophilic substitution reaction between F<sup>-</sup> and CD<sub>3</sub>I.

Atilay Ayasli, Arnab Khan, Thomas Gstir

|Jun 13, 2024
Benchmark <i>ab initio</i> characterization of the multi-channel Cl + CH<sub>3</sub>X [X = F, Cl, Br, I] reactive potential energy surfaces.

Dorina R Gál, Dóra Papp, Gábor Czakó

|May 29, 2024
Dynamics of the HCl + C<sub>2</sub>H<sub>5</sub> 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

|Apr 10, 2024
Imaging the Ion-Molecule Reaction Dynamics of O<sup>-</sup> + CD<sub>4</sub>.

Atilay Ayasli, Petra Tóth, Tim Michaelsen

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Frequent Collaborators

14 joint publications

Gábor Czakó

3 joint publications

Viktor Tajti

2 joint publications

Tibor Győri

2 joint publications

Domonkos A Tasi

2 joint publications

Roland Wester

1 joint publications

Gustavo Avila

1 joint publications

Edit Mátyus

1 joint publications

Tímea Szűcs

1 joint publications

Fabio Zappa

1 joint publications

Cangtao Yin

Frequent Collaborators

14 joint publications

Gábor Czakó

3 joint publications

Viktor Tajti

2 joint publications

Tibor Győri

2 joint publications

Domonkos A Tasi