Publikacje
- Katharina Boguslawski, Filip Brzęk, Rahul Chakraborty, Kacper Cieślak, Seyedehdelaram Jahani, Aleksandra Leszczyk, Artur Nowak, Emil Sujkowski, Julian Świerczyński, Somayeh Ahmadkhani, Dariusz Kędziera, Maximilian Kriebel, Piotr S. Żuchowski, Paweł Tecmer,
PyBEST : Improved functionality and enhanced performance
Comp. Phys. Commun. 2024, 297, 109049, https://doi.org/10.1016/j.cpc.2023.109049 - Patryk Rybczyński, Tadeusz M. Muzioł, Anna Kaczmarek-Kędziera, Borys Ośmiałowski
Topology switch between AIE and ACQ: a balance of substituents
J. Phys. Chem. C 2024, 128, 5651, https://doi.org/10.1021/acs.jpcc.4c00423 - Andrej Hurajt, Dariusz Kędziera, Anna Kaczmarek-Kędziera, Andrej Antušek
Nuclear magnetic dipole moments of 75As, 121Sb, and 123Sb from ab initio calculations of NMR shielding constants and existing NMR experiments
Phys. Rev. A 2024, 109, 042815, https://doi.org/10.1103/physreva.109.042815 - Simran Chaudhary, Dariusz Kędziera, Zbigniew Rafiński, Liliana Dobrzańska
Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core
RSC Adv. 2023, 13, 30625, https://doi.org/10.1039/d3ra05713e - Eya Derbali, Yosra Ajili, Bilel Mehnen, Piotr S. Żuchowski, Dariusz Kędziera, Muneerah Mogren Al-Mogren, Nejm-Edine Jaidane, Majdi Hochlaf
Towards the generation of potential energy surfaces of weakly bound medium-sized molecular systems : the case of benzonitrile–He complex
Phys. Chem. Chem. Phys. 2023, 25, 30081, https://doi.org/10.1039/D3CP02720A - Bilel Mehnen, Saida Ben Yaghlane, Piotr S. Żuchowski, Dariusz Kędziera, Muneera Mogren Al-Mogren, Majdi Hochlaf
Electronic and spin-rovibrational spectroscopy of the HPS+ cation
J. Mol. Struct. 2023, 1288, 135784, https://doi.org/10.1016/j.molstruc.2023.135784 - Patricia Vindel-Zandbergen, Dariusz Kędziera, Michał Żółtowski, Jacek Kłos, Piotr S. Żuchowski, Peter M. Felker, François Lique, Zlatko Bačić H2O–HCN complex: a new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations
J. Chem. Phys. 2023, 159, 174302, https://doi.org/10.1063/5.0173751 - Simran Chaudhary, Dariusz Kędziera, Liliana Dobrzańska
Structural diversity of Ag(I) complexes with the flexible ligand 1,3-bis[(imidazol-2-yl)thiomethyl]benzene Polyhedron 2022, 224, 115989, https://doi.org/10.1016/j.poly.2022.115989 - Dariusz Kędziera, Guntram Rauhut, Attila G. Császár
Structure, energetics, and spectroscopy of the chromophores of HHe+n, H2He+n, and He+n clusters and their deuterated isotopologues
Phys. Chem. Chem. Phys. 2022, 24, 12176, https://doi.org/10.1039/D1CP05535F - Bilel Mehnen, Piotr Żuchowski, Dariusz Kedziera, Roberto Linguerri, Majdi Hochlaf
Electronic Structure and Spectroscopy of the AuO+ Cation
J. Phys. Chem. A 2022, 126, 8119–8126, https://doi.org/10.1021/acs.jpca.2c04594 - Anup Thomas, Mahesh G. Wakhradkar, Siddlingeshwar B, Krishna Chaitanya Gunturu, Anna Kaczmarek-Kędziera, Joel Abraham
Computational Study on the Effect of Thienyl π-Donor on the Optical Response of Nonclassical Oligo-Pyrazinothienothiadiazole Biradicaloids
J. Phys. Chem. A 2022, 126, 7829–7839, https://doi.org/10.1021/acs.jpca.2c04788 - Patryk Rybczyński, Manon H. E. Bousquet, Anna Kaczmarek-Kędziera, Beata Jędrzejewska, Denis Jacquemin, Borys Ośmiałowski
Controlling the fluorescence quantum yields of benzothiazole-difluoroborates by optimal substitution
Chem. Sci., 2022, 13, 13347-13360, https://doi.org/10.1039/D2SC05044G - Marta Dudek, Anna Kaczmarek-Kędziera, Radosław Deska, Jakub Trojnar, Patryk Jasik, Piotr Młynarz, Marek Samoć, Katarzyna Matczyszyn
Linear and Nonlinear Optical Properties of Azobenzene Derivatives Modified with an (Amino)naphthalene Moiety
J. Phys. Chem. B 2022, 126, 6063–6073, https://doi.org/10.1021/acs.jpcb.2c03078 - Aleksandra Leszczyk, Tibor Dome, Paweł Tecmer, Dariusz Kedziera, Katharina Boguslawski, Resolving the π-assisted U–N σf-bond formation using quantum information theory,
Phys. Chem. Chem. Phys. 2022, 24, 21296-21307, https://doi.org/10.1039/D2CP03377A - Mariusz J. Bosiak, Alicja A. Zielińska, Piotr Trzaska, Dariusz Kędziera, Jörg Adams, Buchwald–Hartwig Amination of Aryl Halides with Heterocyclic Amines in the Synthesis of Highly Fluorescent Benzodifuran-Based Star-Shaped Organic Semiconductors,
J. Org. Chem. 2021, 86, 24, 17594–17605, https://doi.org/10.1021/acs.joc.1c01583 - Beata Derkowska-Zielinska, Anna Kaczmarek-Kedziera, Malgorzata Sypniewska, Dariusz Chomicki, Robert Szczesny, Lukasz Skowronski, Viviana Figà, Oksana Krupka
Distance Effects of Phenylpiperazine-Containing Methacrylic Polymers on Optical and Structural Properties
J. Phys. Chem. B 2021, 125, 10629–10638, https://doi.org/10.1021/acs.jpcb.1c05654 - Paulina Bolibok, Stanisław Koter, Anna Kaczmarek-Kędziera, Piotr Kowalczyk, Bogna Łukomska, Olga Łukomska, Sławomir Boncel, Marek Wiśniewski, Katsumi Kaneko, Artur P. Terzyk
Liquid phase adsorption induced nanosizing of graphene oxide
Carbon, 2021, 183, 948-957, https://doi.org/10.1016/j.carbon.2021.07.101 - Patryk Jasik, Jan Franz, Dariusz Kędziera, Tymon Kilich, Jan Kozicki, Józef E. Sienkiewicz, Spontaneous electron emission vs dissociation in internally hot silver dimer anions
J. Chem. Phys. 2021, 154, 164301, https://doi.org/10.1063/5.0046060 - Beata Derkowska-Zielińska, Ewa Gondek, Monika Pokladko-Kowar, Anna Kaczmarek-Kędziera, Andrii Kysil, Gandham Lakshminarayana, Oksana Krupka
Photovoltaic cells with various azo dyes as components of the active layer
Solar Energy, 2020, 203, 19-24, https://doi.org/10.1016/j.solener.2020.04.022 - Anna Kaczmarek-Kędziera, Piotr S. Żuchowski, Dariusz Kędziera
Nature of intermolecular interaction in squaraine dimers
Sci. Rep. 2020, 10, 19670, https://doi.org/10.1038/s41598-020-76631-z - Tadeusz M. Muzioł, Natalia Tereba, Robert Podgajny, Dariusz Kędziera, Grzegorz Wrzeszcz
Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green → blue → red crystal color sequence
Dalton Trans., 2019, 48, 11536-11546, https://doi.org/10.1039/C9DT02216C - Beata Derkowska-Zielinska, Katarzyna Matczyszyn, Marta Dudek, Marek Samoc, Robert Czaplicki, Anna Kaczmarek-Kedziera, Vitaliy Smokal, Angelina Biitseva, Oksana Krupka
All-Optical Poling and Two-Photon Absorption in Heterocyclic Azo Dyes with Different Side Groups
J. Phys. Chem. C 2019, 123, 725–734, https://doi.org/10.1021/acs.jpcc.8b10621 - Mariana Kozlowska, Pawel Rodziewicz, Tillmann Utesch, Maria Andrea Mroginski, Anna Kaczmarek-Kedziera
Solvation of diclofenac in water from atomistic molecular dynamics simulations – interplay between solute–solute and solute–solvent interactions
Phys. Chem. Chem. Phys., 2018, 20, 8629-8639, https://doi.org/10.1039/C7CP08468D - Mariusz J. Bosiak, Piotr Trzaska, Dariusz Kędziera, Jörg Adams,
Synthesis and photoluminescence properties of star-shaped 2,3,6,7-tetrasubstituted benzo[1,2-b:4,5-b′]difurans
Dyes and Pigments, 2016, 129, 199-208, https://doi.org/10.1016/j.dyepig.2016.01.025 - Mariusz J. Bosiak, Marcin Rakowiecki, Katarzyna J. Orłowska, Dariusz Kędziera, Jörg Adams,
Synthesis and photoluminescent properties of conjugated aryl–vinyl dioctyl 2,6-dimethylbenzofuro[5,6-b]furan-3,7-dicarboxylate derivatives
Dyes and Pigments, 2013, 99, 803-811, https://doi.org/10.1016/j.dyepig.2013.07.006 - Andrej Antušek, Paweł Rodziewicz, Dariusz Kędziera, Anna Kaczmarek-Kędziera, Michał Jaszuński
Ab initio study of NMR shielding of alkali earth metal ions in water complexes and magnetic moments of alkali earth metal nuclei
Chem. Phys. Letters 2013, 588, 57-62, https://doi.org/10.1016/j.cplett.2013.10.018 - Andrej Antušek, Dariusz Kędziera, Anna Kaczmarek-Kędziera, Michał Jaszuński
Coupled cluster study of NMR shielding of alkali metal ions in water complexes and magnetic moments of alkali metal nuclei
Chem. Phys. Letters 2012, 532, 1-8, https://doi.org/10.1016/j.cplett.2012.02.036 - Harald Forbert, Marco Masia, Anna Kaczmarek-Kedziera, Nisanth N. Nair, Dominik Marx
Aggregation-Induced Chemical Reactions: Acid Dissociation in Growing Water Clusters
J. Am. Chem. Soc. 2011, 133, 4062–4072, https://doi.org/10.1021/ja1099209 - Angelika Baranowska, Agnieszka Zawada, Berta Fernández, Wojciech Bartkowiak, Dariusz Kędziera, Anna Kaczmarek-Kędziera
Interaction-induced electric properties and cooperative effects in model systems
Phys. Chem. Chem. Phys., 2010, 12, 852-862, https://doi.org/10.1039/B916993H - Anna Gutberlet, Gerhard Schwaab, Özgür Birer, Marco Masia, Anna Kaczmarek, Harald Forbert, Martina Havenith, Dominik Marx
Aggregation-Induced Dissociation of HCl(H2O)4 Below 1 K: The Smallest Droplet of Acid
Science 2009, 324, 1545-1548, https://doi.org/10.1126/science.1171753 - Anna Kaczmarek, Motoyuki Shiga, Dominik Marx
Quantum Effects on Vibrational and Electronic Spectra of Hydrazine Studied by “On-the-Fly” ab Initio Ring Polymer Molecular Dynamics
J. Phys. Chem. A 2009, 113, 1985–1994, https://doi.org/10.1021/jp8081936 - Monika Stanke, Dariusz Kędziera, Sergiy Bubin, Ludwik Adamowicz
Lowest Excitation Energy of 9Be
Phys. Rev. Lett., 2007, 99, 043001, https://doi.org/10.1103/PhysRevLett.99.043001
Monografie i podręczniki:
- Handbook of Computational Chemistry, Ed. Jerzy Leszczynski, Anna Kaczmarek-Kędziera, Tomasz Puzyn, Manthos Papadopoulos, Heribert Reis, Andrzej J. Sadlej, Manoj K. Shukla, Springer 2012 (Ed. 1), 2017 (Ed. 2),
https://doi.org/10.1007/978-94-007-0711-5,
https://doi.org/10.1007/978-3-319-27282-5 - Chemia obliczeniowa w laboratorium organicznym, Anna Kaczmarek-Kędziera, Marta Ziegler-Borowska, Dariusz Kędziera, Wydawnictwo Naukowe Uniwersytetu Mikołaja Kopernika 2014.