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Bučinský, Lukas
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Online (114)
Mediatypes
Articles (Online) (71)
OpenAccess-fulltext (43)
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1
Isomerization pathway of a C–C sigma bond in a bis(octaazam..:
Jelemenska, Ingrid
;
Zalibera, Michal
;
Rapta, Peter
...
Theoretical Chemistry Accounts. 143 (2024) 4 - p. , 2024
Link:
https://doi.org/10.1007/..
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2
Chemical and Redox Noninnocence of Pentane-2,4-dione Bis(S-..:
Porte, Vincent
;
Milunovic, Miljan N. M.
;
Knof, Ulrich
...
JACS Au. 4 (2024) 3 - p. 1166-1183 , 2024
Link:
https://doi.org/10.1021/..
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3
Exploring hydrogen binding and activation on transition met..:
Müllerová, Simona
;
Malček, Michal
;
Bucinsky, Lukas
.
Carbon Letters. 34 (2024) 5 - p. 1495-1506 , 2024
Link:
https://doi.org/10.1007/..
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4
SchNetPack Hyperparameter Optimization for a More Reliable ..:
Matúška, Ján
;
Bucinsky, Lukas
;
Gall, Marián
..
The Journal of Physical Chemistry B. 128 (2024) 20 - p. 4943-4951 , 2024
Link:
https://doi.org/10.1021/..
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5
Compromise in Docking Power of Liganded Crystal Structures ..:
Zajaček, Dávid
;
Dunárová, Adriána
;
Bucinsky, Lukas
.
Journal of Chemical Information and Modeling. 64 (2024) 5 - p. 1628-1643 , 2024
Link:
https://doi.org/10.1021/..
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6
Theoretical study of Fe-based biomimetic complexes interact..:
Hlinčík, Andrej
;
Malček, Michal
;
Bucinsky, Lukas
Chemical Physics Impact. 7 (2023) - p. 100299 , 2023
Link:
https://doi.org/10.1016/..
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7
Advances and critical assessment of machine learning techni..:
Bucinsky, Lukas
;
Gall, Marián
;
Matúška, Ján
..
International Journal of Quantum Chemistry. 123 (2023) 24 - p. , 2023
Link:
https://doi.org/10.1002/..
?
8
Effect of surface curvature on the hydrogen storage capacit..:
Malček, Michal
;
Sredojević, Dušan N.
;
Tkáč, Ondrej
.
Diamond and Related Materials. 139 (2023) - p. 110335 , 2023
Link:
https://doi.org/10.1016/..
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9
Diastereomeric dinickel(ii) complexes with non-innocent bis..:
Dobrov, Anatolie
;
Darvasiová, Denisa
;
Zalibera, Michal
...
Dalton Transactions. 51 (2022) 13 - p. 5151-5167 , 2022
Link:
https://doi.org/10.1039/..
?
10
Theoretical study of hydrogen adsorption on the graphene qu..:
Malček, Michal
;
Müllerová, Simona
;
Bučinský, Lukáš
Physica E: Low-dimensional Systems and Nanostructures. 139 (2022) - p. 115144 , 2022
Link:
https://doi.org/10.1016/..
?
11
Tailoring the hydrogen storage performance of the Cr-, Mn-,..:
Malček, Michal
;
Čermáková, Kristína
;
Rapta, Peter
..
International Journal of Hydrogen Energy. 47 (2022) 81 - p. 34570-34582 , 2022
Link:
https://doi.org/10.1016/..
?
12
Machine learning prediction of 3CLSARS-CoV-2 docking scores:
Bucinsky, Lukas
;
Bortňák, Dušan
;
Gall, Marián
...
Computational Biology and Chemistry. 98 (2022) - p. 107656 , 2022
Link:
https://doi.org/10.1016/..
?
13
Molecular docking and machine learning affinity prediction ..:
Jablonský, Michal
;
Štekláč, Marek
;
Majová, Veronika
...
Biophysical Chemistry. 288 (2022) - p. 106854 , 2022
Link:
https://doi.org/10.1016/..
?
14
3CLpro and PLpro affinity, a docking study to fight COVID19..:
Štekláč, Marek
;
Zajaček, Dávid
;
Bučinský, Lukáš
Journal of Molecular Structure. 1245 (2021) - p. 130968 , 2021
Link:
https://doi.org/10.1016/..
?
15
Electronic structure of (MePh3P)2[NiII(bdtCl2)2]·2(CH3)2SO ..:
Adamko Koziskova, Julia
;
Chen, Yu-Sheng
;
Grass, Su-Yin
...
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 77 (2021) 6 - p. 919-929 , 2021
Link:
https://doi.org/10.1107/..
1-15