E-LIB Suche - Ergebnisse für: Kędziera, Dariusz

1

PyBEST: Improved functionality and enhanced performance:

Boguslawski, Katharina ; Brzęk, Filip ; Chakraborty, Rahul...
Computer Physics Communications. 297 (2024) - p. 109049 , 2024

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

2

Solvent-induced polymorphism in dipodal N-donor ligands con..:

Chaudhary, Simran ; Kędziera, Dariusz ; Rafiński, Zbigniew.
RSC Advances. 13 (2023) 44 - p. 30625-30632 , 2023

Link: https://doi.org/10.1039/..

3

Electronic and spin-rovibrational spectroscopy of the HPS+ ..:

Mehnen, Bilel ; Yaghlane, Saida Ben ; Żuchowski, Piotr...
Journal of Molecular Structure. 1288 (2023) - p. 135784 , 2023

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

4

Towards the generation of potential energy surfaces of weak..:

Derbali, Eya ; Ajili, Yosra ; Mehnen, Bilel...
Physical Chemistry Chemical Physics. 25 (2023) 44 - p. 30198-30210 , 2023

Link: https://doi.org/10.1039/..

5

H2O–HCN complex: A new potential energy surface and intermo..:

Vindel-Zandbergen, Patricia ; Kȩdziera, Dariusz ; Żółtowski, Michał...
The Journal of Chemical Physics. 159 (2023) 17 - p. , 2023

Link: https://doi.org/10.1063/..

6

Supramolecular Approach to Tuning the Photophysical Propert..:

Kaczmarek-Kȩdziera, Anna ; Ośmiałowski, Borys ; Żuchowski, Piotr S..
Frontiers in Chemistry. 9 (2022) - p. , 2022

Link: https://doi.org/10.3389/..

7

Resolving the π-assisted U–N σf-bond formation using quantu..:

Leszczyk, Aleksandra ; Dome, Tibor ; Tecmer, Paweł..
Physical Chemistry Chemical Physics. 24 (2022) 35 - p. 21296-21307 , 2022

Link: https://doi.org/10.1039/..

8

Structure, energetics, and spectroscopy of the chromophores..:

Kędziera, Dariusz ; Rauhut, Guntram ; Császár, Attila G.
Physical Chemistry Chemical Physics. 24 (2022) 20 - p. 12176-12195 , 2022

Link: https://doi.org/10.1039/..

9

Structural diversity of Ag(I) complexes with the flexible l..:

Chaudhary, Simran ; Kędziera, Dariusz ; Dobrzańska, Liliana
Polyhedron. 224 (2022) - p. 115989 , 2022

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

10

Electronic Structure and Spectroscopy of the AuO+ Cation:

Mehnen, Bilel ; Żuchowski, Piotr ; Kedziera, Dariusz..
The Journal of Physical Chemistry A. 126 (2022) 44 - p. 8119-8126 , 2022

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

11

Photochemical Properties and Stability of BODIPY Dyes:

Rybczynski, Patryk ; Smolarkiewicz-Wyczachowski, Aleksander ; Piskorz, Jaroslaw...
International Journal of Molecular Sciences. 22 (2021) 13 - p. 6735 , 2021

Link: https://doi.org/10.3390/..

12

Dataset of noncovalent intermolecular interaction energy cu..:

Madajczyk, Katarzyna ; Żuchowski, Piotr S. ; Brzȩk, Filip...
The Journal of Chemical Physics. 154 (2021) 13 - p. , 2021

Link: https://doi.org/10.1063/..

13

Buchwald–Hartwig Amination of Aryl Halides with Heterocycli..:

Bosiak, Mariusz J. ; Zielińska, Alicja A. ; Trzaska, Piotr..
The Journal of Organic Chemistry. 86 (2021) 24 - p. 17594-17605 , 2021

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

14

Pythonic Black-box Electronic Structure Tool (PyBEST). An o..:

Boguslawski, Katharina ; Leszczyk, Aleksandra ; Nowak, Artur...
Computer Physics Communications. 264 (2021) - p. 107933 , 2021

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

15

Nature of intermolecular interaction in squaraine dimers:

Kaczmarek-Kędziera, Anna ; Żuchowski, Piotr S. ; Kędziera, Dariusz
Scientific Reports. 10 (2020) 1 - p. , 2020

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