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