E-LIB Suche - Ergebnisse für: Bučinský, Lukas

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/..

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/..

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/..

4

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/..

5

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/..

6

Compromise in Docking Power of Liganded Crystal Structures ..:

Dávid Zajaček ; Adriána Dunárová ; Lukas Bucinsky.
doi:10.1021/acs.jcim.3c01552.s002. , 2024

Link: https://doi.org/10.1021/..

7

Compromise in Docking Power of Liganded Crystal Structures ..:

Dávid Zajaček ; Adriána Dunárová ; Lukas Bucinsky.
doi:10.1021/acs.jcim.3c01552.s003. , 2024

Link: https://doi.org/10.1021/..

8

Compromise in Docking Power of Liganded Crystal Structures ..:

Dávid Zajaček ; Adriána Dunárová ; Lukas Bucinsky.
doi:10.1021/acs.jcim.3c01552.s003. , 2024

Link: https://doi.org/10.1021/..

9

Compromise in Docking Power of Liganded Crystal Structures ..:

Dávid Zajaček ; Adriána Dunárová ; Lukas Bucinsky.
doi:10.1021/acs.jcim.3c01552.s001. , 2024

Link: https://doi.org/10.1021/..

10

Compromise in Docking Power of Liganded Crystal Structures ..:

Dávid Zajaček ; Adriána Dunárová ; Lukas Bucinsky.
doi:10.1021/acs.jcim.3c01552.s002. , 2024

Link: https://doi.org/10.1021/..

11

Compromise in Docking Power of Liganded Crystal Structures ..:

Dávid Zajaček ; Adriána Dunárová ; Lukas Bucinsky.
doi:10.1021/acs.jcim.3c01552.s001. , 2024

Link: https://doi.org/10.1021/..

12

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/..

13

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/..

14

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/..

15

Theoretical study of Fe-based biomimetic complexes interact..:

Andrej Hlinčík ; Michal Malček ; Lukas Bucinsky
http://www.sciencedirect.com/science/article/pii/S2667022423001391. , 2023

Link: https://doi.org/10.1016/..