| 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 | 63 | 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 | 37 | 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 | 37 | 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 | 24 | 2007 |
| 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 | 19 | 2012 |
| 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 | 19 | 2011 |
| 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 | 17 | 2016 |
| 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 | 17 | 2015 |
| 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 | 16 | 2020 |
| 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 | 16 | 2015 |
| 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 | 14 | 2014 |
| Predicted NMR properties of noble gas hydride cations RgH⁺ J Cukras, J Sadlej Chemical Physics Letters 467 (1), 18-22, 2008 | 14 | 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 | 12 | 2017 |
| 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 | 9 | 2009 |
| 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 | 8 | 2018 |
| 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 | 5 | 2023 |
| 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 | 5 | 2018 |
| 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 | 5 | 2008 |
| Towards quantum-chemical modeling of the activity of anesthetic compounds J Cukras, J Sadlej International Journal of Molecular Sciences 22 (17), 9272, 2021 | 4 | 2021 |
| 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 | | 2023 |
Sonia CorianiDepartment of Chemistry, Technical University of DenmarkVerified email at kemi.dtu.dk
