Search Results - "Kubas, Adam"

Luminescent Alkylaluminium Anthranilates Reaching Unity Quantum Yield in the Condensed Phase.

Authors: Szejko, Vadim Justyniak, Iwona Jędrzejewska, Maria et al.

Source: Angewandte Chemie International Edition; 5/12/2025, Vol. 64 Issue 20, p1-8, 8p

Uncovering Factors Controlling Reactivity of Metal‐TEMPO Reaction Systems in the Solid State and Solution.

Authors: Budny‐Godlewski, Krzysztof Piekarski, Dariusz G. Justyniak, Iwona et al.

Source: Chemistry - A European Journal; 9/25/2024, Vol. 30 Issue 54, p1-9, 9p

Characterization of charge transfer excited states in [2Fe–2S] iron–sulfur clusters using conventional configuration interaction techniques.

Authors: Kubas, Adam¹ (AUTHOR) akubas@ichf.edu.pl

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Jul2020, Vol. 139 Issue 7, p1-7. 7p.

Theoretical Insights into the Unique Ligation of [Fe4S4] Iron–Sulfur Clusters.

Authors: Kubas, Adam Maszota, Paweł

Source: European Journal of Inorganic Chemistry. 6/7/2018, Vol. 2018 Issue 20/21, p2419-2428. 10p.

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A New Look at Molecular and Electronic Structure of Homoleptic Diiron(II,II) Complexes with N,N‐Bidentate Ligands: Combined Experimental and Theoretical Study.

Authors: Korona, Krzesimir Terlecki, Michał Justyniak, Iwona et al.

Source: Chemistry - A European Journal; Jul2022, Vol. 28 Issue 40, p1-11, 11p

Modular Nitrogen‐Doped Concave Polycyclic Aromatic Hydrocarbons for High‐Performance Organic Light‐Emitting Diodes with Tunable Emission Mechanisms.

Authors: Wagner, Jakub Zimmermann Crocomo, Paola Kochman, Michał Andrzej et al.

Source: Angewandte Chemie International Edition; 7/4/2022, Vol. 61 Issue 27, p1-9, 9p

HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations.

Authors: Ziogos, Orestis George Kubas, Adam Futera, Zdenek et al.

Source: Journal of Chemical Physics. 12/21/2021, Vol. 155 Issue 23, p1-13. 13p.

NMR Crystallography Enhanced by Quantum Chemical Calculations and Liquid State NMR Spectroscopy for the Investigation of Se‐NHC Adducts**.

Authors: Mames, Adam Pietrzak, Mariusz Bernatowicz, Piotr et al.

Source: Chemistry - A European Journal; Nov2021, Vol. 27 Issue 66, p16477-16487, 11p

Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O2.

Authors: Kubas, Adam De Sancho, David Best, Robert B. et al.

Source: Angewandte Chemie. Apr2014, Vol. 126 Issue 16, p4165-4168. 4p.

Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O2.

Authors: Kubas, Adam De Sancho, David Best, Robert B. et al.

Source: Angewandte Chemie International Edition. Apr2014, Vol. 53 Issue 16, p4081-4084. 4p.

Theoretical Approach Towards the Understanding of Asymmetric Additions of Dialkylzinc to Enals and Iminals Catalysed by [2.2]Paracyclophane-Based N,O-Ligands.

Authors: Kubas, Adam Bräse, Stefan Fink, Karin

Source: Chemistry - A European Journal. Jul2012, Vol. 18 Issue 27, p8377-8385. 9p.

Selective Oxidation of 5‐Hydroxymethylfurfural to 2,5‐Diformylfuran by Visible Light‐Driven Photocatalysis over In Situ Substrate‐Sensitized Titania.

Authors: Khan, Ayesha Goepel, Michael Kubas, Adam et al.

Source: ChemSusChem; 3/5/2021, Vol. 14 Issue 5, p1351-1362, 12p

Catalytic synthesis of 9-cis-retinoids: mechanistic insights.

Authors: Kahremany, Shirin Kubas, Adam Tochtrop, Gregory P. et al.

Source: Dalton Transactions: An International Journal of Inorganic Chemistry. 7/28/2019, Vol. 48 Issue 28, p10581-10595. 15p.

Subjects: Drug synthesis, Heat treatment, Chemistry, Isomerization, Therapeutics, Isomers

Mechanism of hydrolysis of a platinum(IV) complex discovered by atomic telemetry.

Authors: Czapla-Masztafiak, Joanna Kubas, Adam Kayser, Yves et al.

Source: Journal of Inorganic Biochemistry. Oct2018, Vol. 187, p56-61. 6p.

Front Cover: Uncovering Factors Controlling Reactivity of Metal‐TEMPO Reaction Systems in the Solid State and Solution (Chem. Eur. J. 54/2024).

Authors: Budny‐Godlewski, Krzysztof Piekarski, Dariusz G. Justyniak, Iwona et al.

Source: Chemistry - A European Journal; 9/25/2024, Vol. 30 Issue 54, p1-1, 1p

Theoretical Insights into the Unique Ligation of [Fe4S4] Iron–Sulfur Clusters.

Authors: Kubas, Adam Maszota, Paweł

Source: European Journal of Inorganic Chemistry; 6/7/2018, Vol. 2018 Issue 20/21, p2419-2428, 10p

How molecular oxygen binds to bis[trifluoroacetylacetonato(−1)]cobalt(ii) – ab initioand density functional theory studiesElectronic supplementary information (ESI) available. See DOI: 10.1039/c1dt10724k.

Authors: Kubas, Adam Hartung, Jens Fink, Karin

Source: Dalton Transactions: An International Journal of Inorganic Chemistry. Nov2011, Vol. 40 Issue 42, p11289-11295. 7p.

Subjects: Cobalt, Density functionals, Oxidation, Solvents, Furans, Electrons

Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O2.

Authors: Kubas, Adam De Sancho, David Best, Robert B. et al.

Source: Angewandte Chemie International Edition; Apr2014, Vol. 53 Issue 16, p4081-4084, 4p

Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations.

Authors: Kubas, Adam Hoffmann, Felix Heck, Alexander et al.

Source: Journal of Chemical Physics. 3/14/2014, Vol. 140 Issue 10, p1-21. 21p. 3 Diagrams, 12 Charts, 5 Graphs.