The electron density of delocalized bonds (EDDB) applied for quantifying aromaticity DW Szczepanik, M Andrzejak, J Dominikowska, B Pawełek, ... Physical Chemistry Chemical Physics 19, 28970-28981, 2017 | 144 | 2017 |
A uniform approach to the description of multicenter bonding DW Szczepanik, M Andrzejak, K Dyduch, E Żak, M Makowski, G Mazur, ... Physical Chemistry Chemical Physics 16 (38), 20514-20523, 2014 | 142 | 2014 |
The role of the long-range exchange corrections in the description of electron delocalization in aromatic species DW Szczepanik, M Solà, M Andrzejak, B Pawełek, J Dominikowska, ... Journal of Computational Chemistry 38 (18), 1640-1654, 2017 | 81 | 2017 |
Electron delocalization in planar metallacycles: Hückel or Möbius aromatic? DW Szczepanik, M Solà ChemistryOpen 8 (2), 219-227, 2019 | 54 | 2019 |
A new perspective on quantifying electron localization and delocalization in molecular systems DW Szczepanik Computational and Theoretical Chemistry 1080, 2016 | 53 | 2016 |
Bond Differentiation and Orbital Decoupling in the Orbital-Communication Theory of the Chemical Bond RF Nalewajski, D Szczepanik, J Mrozek Advances in Quantum Chemistry 61, 1-48, 2011 | 52 | 2011 |
Electron delocalization index based on bond order orbitals DW Szczepanik, E Żak, K Dyduch, J Mrozek Chemical Physics Letters 593, 154-159, 2014 | 46 | 2014 |
Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D? O El Bakouri, D Szczepanik, K Jorner, R Ayub, P Bultinck, M Solà, ... Journal of the American Chemical Society 144, 2022 | 45 | 2022 |
Aromaticity of acenes: the model of migrating π-circuits DW Szczepanik, M Solà, TM Krygowski, H Szatylowicz, M Andrzejak, ... Physical Chemistry Chemical Physics, 2018 | 42 | 2018 |
Probing the origin of adaptive aromaticity in 16‐valence‐electron metallapentalenes D Chen, DW Szczepanik, J Zhu, M Solà Chemistry–A European Journal 26, 2020 | 40 | 2020 |
Excited State Character of Cibalackrot-Type Compounds Interpreted in Terms of Hückel-Aromaticity: A Rational for Singlet Fission Chromophore Design W Zeng, O El Bakouri, D Szczepanik, H Bronstein, H Ottosson Chemical Science, 2021 | 39 | 2021 |
Basis set dependence of molecular information channels and their entropic bond descriptors RF Nalewajski, D Szczepanik, J Mrozek Journal of Mathematical Chemistry 50 (6), 1437-1457, 2012 | 39 | 2012 |
All-metal Baird aromaticity D Chen, DW Szczepanik, J Zhu, M Solà Chemical Communications 56, 2020 | 35 | 2020 |
Quasi-aromatic Möbius Metal Chelates G Mahmoudi, FA Afkhami, A Castiñeiras, I García-Santos, A Gurbanov, ... Inorganic Chemistry 57 (8), 4395-4408, 2018 | 33 | 2018 |
Chameleon-like Nature of Anagostic Interactions and Its Impact on Metalloaromaticity in Square-Planar Nickel Complexes MP Mitoraj, MG Babashkina, K Robeyns, F Sagan, DW Szczepanik, ... Organometallics, 2019 | 27 | 2019 |
Resonance Assisted Hydrogen Bonding Phenomenon Unveiled from Both Experiment and Theory – an Example of New Family of Ethyl N‐salicylideneglycinate Dyes MP Mitoraj, DS Shapenova, AA Shiryaev, M Bolte, M Kukułka, ... Chemistry - A European Journal, 2020 | 23* | 2020 |
On several alternatives for Löwdin orthogonalization D Szczepanik, J Mrozek Computational and Theoretical Chemistry 1008, 15-19, 2013 | 23 | 2013 |
Symmetrical orthogonalization within linear space of molecular orbitals D Szczepanik, J Mrozek Chemical Physics Letters 521, 157-160, 2012 | 20 | 2012 |
Isolation of an Annulated 1, 4‐Distibabenzene Diradicaloid H Steffenfauseweh, D Rottschäfer, YV Vishnevskiy, B Neumann, ... Angewandte Chemie International Edition 62 (19), e202216003, 2023 | 19 | 2023 |
On quadratic bond-order decomposition within molecular orbital space D Szczepanik, J Mrozek Journal of Mathematical Chemistry 51, 1619-1633, 2013 | 19 | 2013 |