Publikacje
2022
- A. Leszczyk, Tibor Dome, P. Tecmer, Dariusz Kedziera , K. Boguslawski,
"Resolving the π-assisted U–N σ f-bond formation using quantum information theory"
Phys. Chem. Chem. Phys. 24 (2022), 21296-21307
DOI: 10.1039/D2CP03377A
2021
- K. Boguslawski, A. Leszczyk, A. Nowak, F. Brzęk, P. Żuchowski, Dariusz Kędziera, P. Tecmer,
"Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics"
Comp. Phys. Commun. 264 (2021), 107933
DOI: 10.1016/j.cpc.2021.107933
2020
- P. Tecmer, F. Schindler, A. Leszczyk, K. Boguslawski,
"Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions"
Phys. Chem. Chem. Phys. 22 (2020), 10845
DOI: 10.1039/d0cp01068e
2019
- A. Leszczyk, P. Tecmer, O. Legeza, K. Boguslawski,
"Elucidating cation-cation interactions in neptunyl dications using multireference ab initio theory"
Phys. Chem. Chem. Phys. 21 (2019), 744-759
DOI: 10.1039/c8cp04267e - A. Leszczyk, P. Tecmer, K. Boguslawski,
"New Strategies in Modeling Electronic Structures and Properties with Applications to Actinides"
in E. Broclawik, T. Borowski and M. Radoń (editor), Transition Metals in Coordination Environments, Springer Nature, Springer, Cham (2019), pp. 121-160
ISBN: 978-3-030-11714-6
English version
