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Pavel Beran
Pavel Beran
J. Heyrovsky Institute of Physical Chemistry
Zweryfikowany adres z jh-inst.cas.cz
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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
422020
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
352014
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
282021
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
262015
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
142022
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
82013
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
62014
Mutual information prediction for strongly correlated systems
P Golub, A Antalik, P Beran, J Brabec
Chemical Physics Letters 813, 140297, 2023
52023
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
42023
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
22021
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
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