Janusz Cukras
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Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems
JMH Olsen, S Reine, O Vahtras, E Kjellgren, P Reinholdt, ...
The Journal of chemical physics 152 (21), 2020
Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra
J Cukras, S Coriani, P Decleva, O Christiansen, P Norman
The Journal of Chemical Physics 139 (9), 2013
Symmetry-adapted perturbation theory interaction energy decomposition for some noble gas complexes
J Cukras, J Sadlej
Chemical Physics Letters 459 (1-6), 44-48, 2008
Structure and energetics of weakly bound water–sulfur dioxide complexes
J Cukras, J Sadlej
Journal of Molecular Structure: THEOCHEM 819 (1-3), 41-51, 2007
A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption
M Kamiński, J Cukras, M Pecul, A Rizzo, S Coriani
Physical Chemistry Chemical Physics 17 (29), 19079-19086, 2015
Theoretical predictions of the spectroscopic parameters in noble-gas molecules: HXeOH and its complex with water
J Cukras, J Sadlej
Physical Chemistry Chemical Physics 13 (34), 15455-15467, 2011
Adsorption of 1, 2, 4‐triazole on a silver electrode: surface‐enhanced Raman spectroscopy and density functional theory studies
B Wrzosek, J Cukras, J Bukowska
Journal of Raman Spectroscopy 43 (8), 1010-1017, 2012
A coupled-cluster study of photodetachment cross sections of closed-shell anions
J Cukras, P Decleva, S Coriani
The Journal of Chemical Physics 141 (17), 2014
A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion
J Cukras, J Kauczor, P Norman, A Rizzo, GLJA Rikken, S Coriani
Physical Chemistry Chemical Physics 18 (19), 13267-13279, 2016
SERS and DFT study of noble-metal-anchored Cys-Trp/Trp-Cys dipeptides: Influence of main-chain direction and terminal modifications
A Królikowska, J Cukras, M Witkowski, D Tymecka, A Hernik-Magoń, ...
The Journal of Physical Chemistry C 124 (13), 7097-7116, 2020
Predicted NMR properties of noble gas hydride cations RgH⁺
J Cukras, J Sadlej
Chemical Physics Letters 467 (1), 18-22, 2008
Real Chemical States of the 3-Sulfur Derivative of 1, 2, 4-Triazole in Different Conditions: Complex Experimental and Theoretical Studies
B Wrzosek, J Cukras, MA Dobrowolski, J Bukowska
The Journal of Physical Chemistry C 121 (17), 9282-9295, 2017
A theoretical study of potentially observable chirality-sensitive NMR effects in molecules
P Garbacz, J Cukras, M Jaszuński
Physical Chemistry Chemical Physics 17 (35), 22642-22651, 2015
The influence of the dispersion corrections on the performance of DFT method in modeling HNgY noble gas molecules and their complexes
J Cukras, J Sadlej
Chemical Physics Letters 691, 319-324, 2018
Static electric polarizabilities and first hyperpolarizabilities of molecular ions RgH⁺ (Rg= He, Ne, Ar, Kr, Xe): ab initio study
J Cukras, A Antušek, F Holka, J Sadlej
Chemical Physics Letters 474 (4), 258-262, 2009
On the Nature of the Interaction in Ternary Water-Sulfur Dioxide Complexes
J Cukras, J Sadlej
Polish Journal of Chemistry 82 (4), 675-685, 2008
Hidden dynamics of noble-metal-bound thiol monolayers revealed by SERS-monitored entropy-driven exchange of cysteine isotopologues
M Witkowski, A Królikowska, J Cukras, W Dzwolak
Applied Surface Science 623, 156985, 2023
Towards quantum-chemical modeling of the activity of anesthetic compounds
J Cukras, J Sadlej
International Journal of Molecular Sciences 22 (17), 9272, 2021
Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes
J Cukras, G Skóra, J Jankowska, J Lundell
Inorganics 6 (3), 100, 2018
Complexes of HXeY with HX (Y, X= F, Cl, Br, I): Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis
B Dzięcioł, I Osadchuk, J Cukras, J Lundell
Molecules 28 (13), 5148, 2023
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Articles 1–20