| Unravelling the open-shell character of peripentacene on Au (111) A Sánchez-Grande, JI Urgel, L Veis, S Edalatmanesh, J Santos, ... The Journal of Physical Chemistry Letters 12 (1), 330-336, 2020 | 41 | 2020 |
| Diethyl fluoronitromethylphosphonate: Synthesis and application in nucleophilic fluoroalkyl additions S Opekar, R Pohl, P Beran, L Rulíšek, P Beier Chemistry–A European Journal 20 (5), 1453-1458, 2014 | 35 | 2014 |
| Density matrix renormalization group with dynamical correlation via adiabatic connection P Beran, M Matoušek, M Hapka, K Pernal, L Veis Journal of Chemical Theory and Computation 17 (12), 7575-7585, 2021 | 28 | 2021 |
| Covalent dimers of 1, 3-Diphenylisobenzofuran for singlet fission: synthesis and electrochemistry A Akdag, A Wahab, P Beran, L Rulisek, PI Dron, J Ludvik, J Michl The Journal of Organic Chemistry 80 (1), 80-89, 2015 | 26 | 2015 |
| Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet–Triplet Gaps of Biradicals D Drwal, P Beran, M Hapka, M Modrzejewski, A Sokół, L Veis, K Pernal The Journal of Physical Chemistry Letters 13 (20), 4570-4578, 2022 | 13 | 2022 |
| On the Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs. Insights from the Analysis of Domain Averaged Fermi Holes and Generalized Population Analysis R Ponec, P Beran The Journal of Physical Chemistry A 117 (12), 2656-2663, 2013 | 8 | 2013 |
| Proton affinities of organocatalysts derived from pyridine N-oxide J Váňa, J Roithova, M Kotora, P Beran, L Rulíšek, P Kočovský Croatica Chemica Acta 87 (4), 349-356, 2014 | 6 | 2014 |
| Mutual information prediction for strongly correlated systems P Golub, A Antalik, P Beran, J Brabec Chemical Physics Letters 813, 140297, 2023 | 5 | 2023 |
| Projection-based density matrix renormalization group in density functional theory embedding P Beran, K Pernal, F Pavosevic, L Veis The Journal of Physical Chemistry Letters 14 (3), 716-722, 2023 | 4 | 2023 |
| SC1MC-2020: A database of transition metal complexes for training ML models to predict one-and two-site entropies P Golub, P Beran, L Veis, J Brabec arXiv preprint arXiv:2101.06090, 2021 | 2 | 2021 |
| Density Matrix Renormalization Group embedding in Kohn-Sham orbital environment K Pernal, P Beran, F Pavosevic, L Veis APS March Meeting Abstracts 2023, G17. 001, 2023 | | 2023 |
| PROJECTION-BASED EMBEDDING OF DMRG METHOD IN DFT P Beran Seminář studentů 2022, 2022 | | 2022 |
