Aromaticity from the viewpoint of molecular geometry: application to planar systems TM Krygowski, H Szatylowicz, OA Stasyuk, J Dominikowska, M Palusiak Chemical reviews 114 (12), 6383-6422, 2014 | 514 | 2014 |
Cyclo [18] carbon: the smallest all-carbon electron acceptor AJ Stasyuk, OA Stasyuk, M Solà, AA Voityuk Chemical communications 56 (3), 352-355, 2020 | 97 | 2020 |
Comparison of the DFT-SAPT and canonical EDA schemes for the energy decomposition of various types of noncovalent interactions OA Stasyuk, R Sedlak, CF Guerra, P Hobza Journal of Chemical Theory and Computation 14 (7), 3440-3450, 2018 | 92 | 2018 |
How amino and nitro substituents direct electrophilic aromatic substitution in benzene: an explanation with Kohn–Sham molecular orbital theory and Voronoi deformation density … OA Stasyuk, H Szatylowicz, TM Krygowski, CF Guerra Physical Chemistry Chemical Physics 18 (17), 11624-11633, 2016 | 60 | 2016 |
Towards physical interpretation of substituent effects: The case of meta-and para-substituted anilines H Szatylowicz, T Siodla, OA Stasyuk, TM Krygowski Physical Chemistry Chemical Physics 18 (17), 11711-11721, 2016 | 45 | 2016 |
Theoretical study of electron-attracting ability of the nitro group: classical and reverse substituent effects OA Stasyuk, H Szatylowicz, C Fonseca Guerra, TM Krygowski Structural Chemistry 26, 905-913, 2015 | 45 | 2015 |
All‐Fullerene Electron Donor–Acceptor Conjugates M Izquierdo, B Platzer, AJ Stasyuk, OA Stasyuk, AA Voityuk, S Cuesta, ... Angewandte Chemie International Edition 58 (21), 6932-6937, 2019 | 39 | 2019 |
Effect of the H-bonding on aromaticity of purine tautomers OA Stasyuk, H Szatyłowicz, TM Krygowski The Journal of organic chemistry 77 (8), 4035-4045, 2012 | 35 | 2012 |
Hypsochromic solvent shift of the charge separation band in ionic donor–acceptor Li+@ C 60⊂[10] CPP AJ Stasyuk, OA Stasyuk, M Solà, AA Voityuk Chemical Communications 55 (75), 11195-11198, 2019 | 32 | 2019 |
Noncovalent interactions in specific recognition motifs of protein–DNA complexes OA Stasyuk, D Jakubec, J Vondrasek, P Hobza Journal of Chemical Theory and Computation 13 (2), 877-885, 2017 | 31 | 2017 |
Calculating the aromaticity of heterocycles H Szatylowicz, OA Stasyuk, TM Krygowski Advances in Heterocyclic Chemistry 120, 301-327, 2016 | 25 | 2016 |
Why 1, 2-quinone derivatives are more stable than their 2, 3-analogues? H Szatylowicz, TM Krygowski, M Solà, M Palusiak, J Dominikowska, ... Theoretical Chemistry Accounts 134, 1-14, 2015 | 25 | 2015 |
Tautomerisation of thymine acts against the Hückel 4 N+ 2 rule. The effect of metal ions and H-bond complexations on the electronic structure of thymine OA Stasyuk, H Szatylowicz, TM Krygowski Organic & biomolecular chemistry 12 (33), 6476-6483, 2014 | 23 | 2014 |
Photoinduced electron transfer and unusual environmental effects in fullerene–Zn-porphyrin–BODIPY triads AJ Stasyuk, OA Stasyuk, M Solà, AA Voityuk Physical Chemistry Chemical Physics 21 (45), 25098-25107, 2019 | 22 | 2019 |
New insight into the nature of bonding in the dimers of Lappert’s stannylene and its Ge analogs: A quantum mechanical study R Sedlak, OA Stasyuk, C Fonseca Guerra, J Rezac, A Ruzicka, P Hobza Journal of Chemical Theory and Computation 12 (4), 1696-1704, 2016 | 21 | 2016 |
Effect of Intra- and Intermolecular Interactions on the Properties of para-Substituted Nitrobenzene Derivatives H Szatylowicz, OA Stasyuk, C Fonseca Guerra, TM Krygowski Crystals 6 (3), 29, 2016 | 21 | 2016 |
Stereocontrolled Photoinduced Electron Transfer in Metal‐Fullerene Hybrids AJ Stasyuk, OA Stasyuk, S Filippone, N Martin, M Solà, AA Voityuk Chemistry–A European Journal 24 (49), 13020-13025, 2018 | 20 | 2018 |
Effect of H-bonding and complexation with metal ions on the π-electron structure of adenine tautomers OA Stasyuk, H Szatyłowicz, TM Krygowski Organic & Biomolecular Chemistry 12 (3), 456-466, 2014 | 20 | 2014 |
Photoinduced electron transfer in nanotube⊃ C 70 inclusion complexes: phenine vs. nanographene nanotubes AJ Stasyuk, OA Stasyuk, M Solà, AA Voityuk Chemical Communications 56 (83), 12624-12627, 2020 | 18 | 2020 |
Effect of alkali metal cations on length and strength of hydrogen bonds in DNA base pairs OA Stasyuk, M Sola, M Swart, C Fonseca Guerra, TM Krygowski, ... ChemPhysChem 21 (18), 2112-2126, 2020 | 17 | 2020 |