E-LIB Suche - Ergebnisse für: Gall, Marián

1

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/..

2

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/..

3

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/..

4

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/..

5

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/..

6

Quantum‐chemical study of octafluoro‐spirobi[triphosphazene:

Gall, Marian ; Breza, Martin
International Journal of Quantum Chemistry. 121 (2021) 10 - p. , 2021

Link: https://doi.org/10.1002/..

7

Mathematical modeling based on RT-qPCR analysis of SARS-CoV..:

Krivoňáková, Naďa ; Šoltýsová, Andrea ; Tamáš, Michal...
Scientific Reports. 11 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

8

Micro scale fracture strength of grains and grain boundarie..:

Csanádi, Tamás ; Gall, Marián ; Vojtko, Marek...
Journal of the European Ceramic Society. 40 (2020) 14 - p. 4783-4791 , 2020

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

9

Coordination bonding in dicopper and dichromium tetrakis(μ‐..:

Malček, Michal ; Vénosová, Barbora ; Puškárová, Ingrid...
Journal of Computational Chemistry. 41 (2019) 7 - p. 698-714 , 2019

Link: https://doi.org/10.1002/..

10

Electronic structure of two isostructural `paddle-wheel' co..:

Herich, Peter ; Bučinský, Lukáš ; Breza, Martin...
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 74 (2018) 6 - p. 681-692 , 2018

Link: https://doi.org/10.1107/..

11

General build up ofbasis andmatrix in the diagonalization a..:

Gall, Marián ; Bučinský, Lukáš ; Komorovsky, Stanislav
International Journal of Quantum Chemistry. 118 (2018) 16 - p. , 2018

Link: https://doi.org/10.1002/..

12

Copper(II) Complexes with Schiff Bases Containing a Disilox..:

Soroceanu, Alina ; Cazacu, Maria ; Shova, Sergiu...
European Journal of Inorganic Chemistry. 2013 (2013) 9 - p. 1458-1474 , 2013

Link: https://doi.org/10.1002/..

13

On the Electronic Structure ofmer,trans‐[RuCl3(1H‐indazole)..:

Bučinský, Lukas ; Büchel, Gabriel E. ; Ponec, Robert...
European Journal of Inorganic Chemistry. 2013 (2013) 14 - p. 2505-2519 , 2013

Link: https://doi.org/10.1002/..

14

QTAIM study of transition metal complexes with cyclophospha..:

Gall, Marián ; Breza, Martin
Polyhedron. 31 (2012) 1 - p. 570-574 , 2012

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

15

QTAIM study of transition metal complexes with cyclophospha..:

Gall, Marián ; Breza, Martin
Polyhedron. 28 (2009) 3 - p. 521-524 , 2009

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