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First-Principles Reaction Dynamics beyond Six-Atom Systems.
Czakó G, Győri T, Papp D, Tajti V, Tasi DA. Czakó G, et al. Among authors: papp d. J Phys Chem A. 2021 Apr 1;125(12):2385-2393. doi: 10.1021/acs.jpca.0c11531. Epub 2021 Feb 25. J Phys Chem A. 2021. PMID: 33631071 Free PMC article.
First-principles mode-specific reaction dynamics.
Czakó G, Gruber B, Papp D, Tajti V, Tasi DA, Yin C. Czakó G, et al. Among authors: papp d. Phys Chem Chem Phys. 2024 Apr 19. doi: 10.1039/d4cp00417e. Online ahead of print. Phys Chem Chem Phys. 2024. PMID: 38639072 Review.
Complex rovibrational dynamics of the Ar·NO+ complex.
Papp D, Sarka J, Szidarovszky T, Császár AG, Mátyus E, Hochlaf M, Stoecklin T. Papp D, et al. Phys Chem Chem Phys. 2017 Mar 22;19(12):8152-8160. doi: 10.1039/c6cp07731e. Phys Chem Chem Phys. 2017. PMID: 28225106
Rovibrational Resonances in H2He.
Papp D, Császár AG, Yamanouchi K, Szidarovszky T. Papp D, et al. J Chem Theory Comput. 2018 Mar 13;14(3):1523-1533. doi: 10.1021/acs.jctc.7b01136. Epub 2018 Feb 23. J Chem Theory Comput. 2018. PMID: 29390185
22 results