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Dariusz Szczepanik
Dariusz Szczepanik
Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University
在 uj.edu.pl 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
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
1442017
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
1422014
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
812017
Electron delocalization in planar metallacycles: Hückel or Möbius aromatic?
DW Szczepanik, M Solà
ChemistryOpen 8 (2), 219-227, 2019
542019
A new perspective on quantifying electron localization and delocalization in molecular systems
DW Szczepanik
Computational and Theoretical Chemistry 1080, 2016
532016
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
522011
Electron delocalization index based on bond order orbitals
DW Szczepanik, E Żak, K Dyduch, J Mrozek
Chemical Physics Letters 593, 154-159, 2014
462014
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
452022
Aromaticity of acenes: the model of migrating π-circuits
DW Szczepanik, M Solà, TM Krygowski, H Szatylowicz, M Andrzejak, ...
Physical Chemistry Chemical Physics, 2018
422018
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
402020
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
392021
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
392012
All-metal Baird aromaticity
D Chen, DW Szczepanik, J Zhu, M Solà
Chemical Communications 56, 2020
352020
Quasi-aromatic Möbius Metal Chelates
G Mahmoudi, FA Afkhami, A Castiñeiras, I García-Santos, A Gurbanov, ...
Inorganic Chemistry 57 (8), 4395-4408, 2018
332018
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
272019
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
232013
Symmetrical orthogonalization within linear space of molecular orbitals
D Szczepanik, J Mrozek
Chemical Physics Letters 521, 157-160, 2012
202012
Isolation of an Annulated 1, 4‐Distibabenzene Diradicaloid
H Steffenfauseweh, D Rottschäfer, YV Vishnevskiy, B Neumann, ...
Angewandte Chemie International Edition 62 (19), e202216003, 2023
192023
On quadratic bond-order decomposition within molecular orbital space
D Szczepanik, J Mrozek
Journal of Mathematical Chemistry 51, 1619-1633, 2013
192013
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