MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD(T) Calculations

por Pogrebetsky, James, Siklitskaya, Alexandra, Kubas, Adam
Publicado 2023

Theoretical Study of the Photoisomerization Mechanism of All-Trans-Retinyl Acetate

por Kochman, Michał Andrzej, Palczewski, Krzysztof, Kubas, Adam
Publicado 2021

Simulation and Analysis of the Transient Absorption Spectrum of 4-(N,N-Dimethylamino)benzonitrile (DMABN) in Acetonitrile

por Kochman, Michał Andrzej, Durbeej, Bo, Kubas, Adam
Publicado 2021

Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O(2)**

por Kubas, Adam, De Sancho, David, Best, Robert B, Blumberger, Jochen
Publicado 2014

A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Ra...

por Kubas, Adam, Noak, Johannes, Trunschke, Annette, Schlögl, Robert, Neese, Frank, Maganas, Dimitrios
Publicado 2017

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

por Wagner, Jakub, Zimmermann Crocomo, Paola, Kochman, Michał Andrzej, Kubas, Adam, Data, Przemysław, Lindner, Marcin
Publicado 2022

Chromophore hydrolysis and release from photoactivated rhodopsin in native membranes

por Hong, John D., Salom, David, Kochman, Michał Andrzej, Kubas, Adam, Kiser, Philip D., Palczewski, Krzysztof
Publicado 2022

Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system

por Bartkowski, Krzysztof, Zimmermann Crocomo, Paola, Kochman, Michał Andrzej, Kumar, Dharmandra, Kubas, Adam, Data, Przemysław, Lindner, Marcin
Publicado 2022

Facile Functionalization of Ambipolar, Nitrogen-Doped PAHs toward Highly Efficient TADF OLED Emitters

por Wagner, Jakub, Kumar, Dharmendra, Kochman, Michał Andrzej, Gryber, Tomasz, Grzelak, Magdalena, Kubas, Adam, Data, Przemysław, Lindner, Marcin
Publicado 2023

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

por Khan, Ayesha, Goepel, Michael, Kubas, Adam, Łomot, Dariusz, Lisowski, Wojciech, Lisovytskiy, Dmytro, Nowicka, Ariadna, Colmenares, Juan Carlos, Gläser, Roger
Publicado 2021

Aqueous-phase photo-oxidation of selected green leaf volatiles initiated by (•)OH radicals: Products and atmospheric implications

por Sarang, Kumar, Otto, Tobias, Gagan, Sahir, Rudzinski, Krzysztof, Schaefer, Thomas, Brüggemann, Martin, Grgić, Irena, Kubas, Adam, Herrmann, Hartmut, Szmigielski, Rafal
Publicado 2023

Lerf–Klinowski-type models of graphene oxide and reduced graphene oxide are robust in analyzing non-covalent functionalization with porphyrins

por Siklitskaya, Alexandra, Gacka, Ewelina, Larowska, Daria, Mazurkiewicz-Pawlicka, Marta, Malolepszy, Artur, Stobiński, Leszek, Marciniak, Bronisław, Lewandowska-Andrałojć, Anna, Kubas, Adam
Publicado 2021

Understanding structure–properties relationships of porphyrin linked to graphene oxide through π–π-stacking or covalent amide bonds

por Lewandowska-Andralojc, Anna, Gacka, Ewelina, Pedzinski, Tomasz, Burdzinski, Gotard, Lindner, Aleksandra, O’Brien, Jessica M., Senge, Mathias O., Siklitskaya, Aleksandra, Kubas, Adam, Marciniak, Bronislaw, Walkowiak-Kulikowska, Justyna
Publicado 2022