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Lukáš Bučinský
Lukáš Bučinský
Unknown affiliation
Verified email at stuba.sk
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Year
Quantum crystallography: Current developments and future perspectives
A Genoni, L Bučinský, N Claiser, J Contreras‐García, B Dittrich, ...
Chemistry–A European Journal 24 (43), 10881-10905, 2018
1302018
Importance of relativistic effects and electron correlation in structure factors and electron density of diphenyl mercury and triphenyl bismuth
L Bucinsky, D Jayatilaka, S Grabowsky
The Journal of Physical Chemistry A 120 (33), 6650-6669, 2016
602016
Spectroscopic and computational studies of spin states of iron (IV) nitrido and imido complexes
L Bucinsky, M Breza, WT Lee, AK Hickey, DA Dickie, I Nieto, JA DeGayner, ...
Inorganic chemistry 56 (8), 4751-4768, 2017
482017
X-ray constrained unrestricted Hartree–Fock and Douglas–Kroll–Hess wavefunctions
M Hudák, D Jayatilaka, L Perašínová, S Biskupič, J Kožíšek, L Bučinský
Acta Crystallographica Section A: Foundations of Crystallography 66 (1), 78-92, 2010
462010
NO Releasing and Anticancer Properties of Octahedral Ruthenium–Nitrosyl Complexes with Equatorial 1H-Indazole Ligands
E Orlowska, MV Babak, O Domotor, EA Enyedy, P Rapta, M Zalibera, ...
Inorganic Chemistry 57 (17), 10702-10717, 2018
402018
Copper (II) complexes with new fluoroquinolones: Synthesis, structure, spectroscopic and theoretical study, DNA damage, cytotoxicity and antiviral activity
S Dorotíková, J Kožíšková, M Malček, K Jomová, P Herich, K Plevová, ...
Journal of Inorganic Biochemistry 150, 160-173, 2015
392015
Redox reactions of nickel, copper, and cobalt complexes with “noninnocent” dithiolate ligands: combined in situ spectroelectrochemical and theoretical study
P Machata, P Herich, K Luspai, L Bucinsky, S Soralova, M Breza, ...
Organometallics 33 (18), 4846-4859, 2014
382014
Charge and spin states in Schiff base metal complexes with a disiloxane unit exhibiting a strong noninnocent ligand character: synthesis, structure, spectroelectrochemistry …
M Cazacu, S Shova, A Soroceanu, P Machata, L Bucinsky, M Breza, ...
Inorganic Chemistry 54 (12), 5691-5706, 2015
302015
Relativistic effects on metal− metal bonding: comparison of the performance of ECP and scalar DKH description on the picture of metal− metal bonding in Re2Cl82−
R Ponec, L Bucinsky, C Gatti
Journal of Chemical Theory and Computation 6 (10), 3113-3121, 2010
302010
On relativistic effects in ground state potential curves of Zn2, Cd2, and Hg2 dimers. A CCSD(T) study
L Bučinský, S Biskupič, M Ilčin, V Lukeš, V Laurinc
Journal of Computational Chemistry 30 (1), 65-74, 2009
282009
Ligand Substituent Effects in Manganese Pyridinophane Complexes: Implications for Oxygen-Evolving Catalysis
S Xu, L Bucinsky, M Breza, J Krzystek, CH Chen, M Pink, J Telser, ...
Inorganic Chemistry 56 (22), 14315-14325, 2017
262017
Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs
S Dorotikova, K Plevová, L Bučinský, M Malček, P Herich, L Kucková, ...
The Journal of Physical Chemistry A 118 (40), 9540-9551, 2014
242014
Relativistic quantum crystallography of diphenyl-and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement
L Bučinský, D Jayatilaka, S Grabowsky
Acta Crystallographica Section A: Foundations and Advances 75 (5), 705-717, 2019
232019
A five-coordinate manganese (III) complex of a salen type ligand with a positive axial anisotropy parameter D
S Shova, A Vlad, M Cazacu, J Krzystek, L Bucinsky, M Breza, ...
Dalton Transactions 46 (35), 11817-11829, 2017
232017
Impact of Substituent Variation on the Presence of Thermal Spin Crossover in a Series of Mononuclear Iron (III) Schiff Base Complexes with Terminal Pseudohalido Co‐ligands
L Pogány, B Brachňaková, J Moncol, J Pavlik, I Nemec, Z Trávníček, ...
Chemistry–A European Journal 24 (20), 5191-5203, 2018
222018
3CLpro and PLpro affinity, a docking study to fight COVID19 based on 900 compounds from PubChem and literature. Are there new drugs to be found?
M Štekláč, D Zajaček, L Bučinský
Journal of molecular structure 1245, 130968, 2021
192021
Nickel (II) complexes with redox noninnocent octaazamacrocycles as catalysts in oxidation reactions
A Dobrov, D Darvasiová, M Zalibera, L Bučinský, I Puškárová, P Rapta, ...
Inorganic Chemistry 58 (16), 11133-11145, 2019
182019
Spin contamination analogy, Kramers pairs symmetry and spin density representations at the 2-component unrestricted Hartree–Fock level of theory
L Bučinský, M Malček, S Biskupič, D Jayatilaka, GE Büchel, VB Arion
Computational and Theoretical Chemistry 1065, 27-41, 2015
172015
Picture change error correction of radon atom electron density
L Bučinský, S Biskupič, D Jayatilaka
The Journal of chemical physics 133 (17), 2010
172010
Picture change error in quasirelativistic electron/spin density, Laplacian and bond critical points
L Bučinský, L Kucková, M Malček, J Kožíšek, S Biskupič, D Jayatilaka, ...
Chemical Physics 438, 37-47, 2014
162014
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