Search Results - "Kȩdziera, Dariusz"

Scattering lengths in isotopologues of the RbYb system by Borkowski, Mateusz, Żuchowski, Piotr S., Ciuryło, Roman, Julienne, Paul S., Kędziera, Dariusz, Mentel, Łukasz, Tecmer, Paweł, Münchow, Frank, Bruni, Cristian, Görlitz, Axel

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Non-iterative approach to the infinite-order two-component (IOTC) relativistic theory and the non-symmetric algebraic Riccati equation by Ke¸dziera, Dariusz, Barysz, Maria

“…Two-components relativistic theory, IOTC method, algebraic Riccati equation. The formal framework of the recently developed infinite-order two-component (IOTC)…”
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Supramolecular Approach to Tuning the Photophysical Properties of Quadrupolar Squaraines by Kaczmarek-Kȩdziera, Anna, Ośmiałowski, Borys, Żuchowski, Piotr S, Kȩdziera, Dariusz

“…In the present study, the influence of the hydrogen bonding for the one- and two-photon absorption of the prototypical squaraine dye is investigated with…”
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Synthesis and photoluminescent properties of conjugated aryl–vinyl dioctyl 2,6-dimethylbenzofuro[5,6-b]furan-3,7-dicarboxylate derivatives by Bosiak, Mariusz J., Rakowiecki, Marcin, Orłowska, Katarzyna J., Kędziera, Dariusz, Adams, Jörg

“…The synthesis of highly fluorescent conjugated benzodifuran aryl–vinyl systems, containing four double bonds and at least four phenyl rings, is described. The…”
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Ab initio study of NMR shielding of alkali earth metal ions in water complexes and magnetic moments of alkali earth metal nuclei by Antušek, Andrej, Rodziewicz, Pawel, Ke¸dziera, Dariusz, Kaczmarek-Ke¸dziera, Anna, Jaszuński, Michał

“…[Display omitted] •Coupled cluster study of NMR shielding constants of alkali earth metal ions in water complexes is presented.•The CC results are used for…”
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Convergence of experiment and theory on the pure vibrational spectrum of HeH(+) by Stanke, Monika, Kedziera, Dariusz, Molski, Marcin, Bubin, Sergiy, Barysz, Maria, Adamowicz, Ludwik

“…Very accurate quantum mechanical calculations of the pure vibrational spectrum of the molecular ion are reported and compared with newly obtained pure…”
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Coupled cluster study of NMR shielding of alkali metal ions in water complexes and magnetic moments of alkali metal nuclei by Antušek, Andrej, Ke¸dziera, Dariusz, Kaczmarek-Ke¸dziera, Anna, Jaszuński, Michał

“…[Display omitted] ► Coupled cluster study of NMR shielding constants of alkali metal ions in water complexes is presented. ► The CC results are used for…”
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Structural diversity of Ag(I) complexes with the flexible ligand 1,3-bis[(imidazol-2-yl)thiomethyl]benzene by Chaudhary, Simran, Kędziera, Dariusz, Dobrzańska, Liliana

“…A series of Ag(I) complexes with a new, flexible, dipodal ligand 1,3-bis[(imidazol-2-yl)thiomethyl]benzene and a range of counterions was synthesised in the…”
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Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms: The Implications for Sympathetic Cooling by Kosicki, Maciej Bartosz, Kędziera, Dariusz, Żuchowski, Piotr Szymon

“…We investigate the energetics of the atom exchange reaction in the SrF + alkali-metal atom and CaF + alkali-metal atom systems. Such reactions are possible…”
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Indirect spin–spin coupling constants in CH4, SiH4 and GeH4 – Gas-phase NMR experiment and ab initio calculations by Antušek, Andrej, Ke¸dziera, Dariusz, Jackowski, Karol, Jaszuński, Michał, Makulski, Włodzimierz

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Computational Study of the Influence of Nitrogen-Containing Unsaturated Heterocyclic Substituents on Electronic and Spectroscopic Properties of Squaraine Derivatives by Kaczmarek-Kędziera, Anna, Kędziera, Dariusz

“…A comprehensive understanding of the influence of the different structural elements for the molecular properties is crucial for improving the material design…”
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Photochemical Properties and Stability of BODIPY Dyes by Rybczynski, Patryk, Smolarkiewicz-Wyczachowski, Aleksander, Piskorz, Jaroslaw, Bocian, Szymon, Ziegler-Borowska, Marta, Kędziera, Dariusz, Kaczmarek-Kędziera, Anna

“…The present study is devoted to the combined experimental and theoretical description of the photophysical properties and photodegradation of the new…”
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Molecular aspects of squaraine dyes aggregation and its influence on spectroscopic properties by Kaczmarek-Kedziera, Anna, Kędziera, Dariusz

“…Molecular aggregates of two squaraine dyes of different ability for hydrogen-bond formation are investigated with computational chemistry tools. Oligomers up…”
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Modeling the electronic structures of the ground and excited states of the ytterbium atom and the ytterbium dimer: A modern quantum chemistry perspective by Tecmer, Paweł, Boguslawski, Katharina, Borkowski, Mateusz, Żuchowski, Piotr S., Kędziera, Dariusz

“…We present a comprehensive theoretical study of the electronic structures of the Yb atom and the Yb2 molecule, respectively, focusing on their ground and…”
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Nature of intermolecular interaction in squaraine dimers by Kaczmarek-Kędziera, Anna, Żuchowski, Piotr S., Kędziera, Dariusz

“…Squaraine dyes are known for their particular optical properties. They exhibit intense photochemically stable fluorescence in usually (near) infra red region…”
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Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics by Boguslawski, Katharina, Leszczyk, Aleksandra, Nowak, Artur, Brzęk, Filip, Żuchowski, Piotr Szymon, Kędziera, Dariusz, Tecmer, Paweł

“…Pythonic Black-box Electronic Structure Tool (PyBEST) represents a fully-fledged modern electronic structure software package developed at Nicolaus Copernicus…”
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Buchwald–Hartwig Amination of Aryl Halides with Heterocyclic Amines in the Synthesis of Highly Fluorescent Benzodifuran-Based Star-Shaped Organic Semiconductors by Bosiak, Mariusz J, Zielińska, Alicja A, Trzaska, Piotr, Kędziera, Dariusz, Adams, Jörg

“…The study of palladium-catalyzed amination of bromobenzene with aromatic and heterocyclic amines, widely used in the synthesis of organic semiconductors, was…”
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Ground state of Li and Be + using explicitly correlated functions by Puchalski, Mariusz, Kȩdziera, Dariusz, Pachucki, Krzysztof

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Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core by Chaudhary, Simran, K dziera, Dariusz, Rafi ski, Zbigniew, Dobrza ska, Liliana

“…Polymorph screenings for two related dipodal N-donor ligands containing a biphenyl core, namely 4,4′-bis(pyridin-4-ylmethyl)-1,1′-biphenyl ( 1 ) and 4,4′-bis(1…”
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PyBEST: Improved functionality and enhanced performance by Boguslawski, Katharina, Brzęk, Filip, Chakraborty, Rahul, Cieślak, Kacper, Jahani, Seyedehdelaram, Leszczyk, Aleksandra, Nowak, Artur, Sujkowski, Emil, Świerczyński, Julian, Ahmadkhani, Somayeh, Kędziera, Dariusz, Kriebel, Maximilian H., Żuchowski, Piotr Szymon, Tecmer, Paweł

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