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Adam Kubas
Adam Kubas
Associate Professor, Insitute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland
Verified email at ichf.edu.pl
Title
Cited by
Cited by
Year
Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations
A Kubas, F Hoffmann, A Heck, H Oberhofer, M Elstner, J Blumberger
The Journal of chemical physics 140 (10), 104105, 2014
1892014
Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II
A Kubas, F Gajdos, A Heck, H Oberhofer, M Elstner, J Blumberger
Physical Chemistry Chemical Physics 17 (22), 14342-14354, 2015
1312015
Mechanism of O2 diffusion and reduction in FeFe hydrogenases
A Kubas, C Orain, D De Sancho, L Saujet, M Sensi, C Gauquelin, ...
Nature chemistry 9 (1), 88-95, 2017
1022017
Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)
A Kubas, D Berger, H Oberhofer, D Maganas, K Reuter, F Neese
The Journal of Physical Chemistry Letters 7 (20), 4207-4212, 2016
752016
Ultrafast estimation of electronic couplings for electron transfer between π-conjugated organic molecules
F Gajdos, S Valner, F Hoffmann, J Spencer, M Breuer, A Kubas, M Dupuis, ...
Journal of Chemical Theory and Computation 10 (10), 4653-4660, 2014
712014
[2.2] Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones
L Greb, P Ona-Burgos, A Kubas, FC Falk, F Breher, K Fink, J Paradies
Dalton Transactions 41 (30), 9056-9060, 2012
532012
The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 Cluster
C Schenk, A Kracke, K Fink, A Kubas, W Klopper, M Neumaier, ...
Journal of the American Chemical Society 133 (8), 2518-2524, 2011
462011
Aerobic Damage to [FeFe]‐Hydrogenases: Activation Barriers for the Chemical Attachment of O2
A Kubas, D De Sancho, RB Best, J Blumberger
Angewandte Chemie International Edition 53 (16), 4081-4084, 2014
432014
Interkingdom Signaling: Integration, Conformation, and Orientation of N-Acyl-l-homoserine Lactones in Supported Lipid Bilayers
C Barth, D Jakubczyk, A Kubas, F Anastassacos, G Brenner-Weiss, K Fink, ...
Langmuir 28 (22), 8456-8462, 2012
362012
NMR-spectroscopic and solid-state investigations of cometal-free asymmetric conjugate addition: a dinuclear paracyclophaneimine zinc methyl complex
S Ay, RE Ziegert, H Zhang, M Nieger, K Rissanen, K Fink, A Kubas, ...
Journal of the American Chemical Society 132 (37), 12899-12905, 2010
312010
Charge Density Analysis of 2-Methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile: An Experimental and Theoretical Study of CN···CN Interactions
A Paul, M Kubicki, A Kubas, C Jelsch, K Fink, C Lecomte
The Journal of Physical Chemistry A 115 (45), 12941-12952, 2011
252011
[Sn4Si {Si (SiMe3) 3} 4 {SiMe3} 2]: A Model Compound for the Unexpected First‐Order Transition from a Singlet Biradicaloid to a Classical Bonded Molecule
C Schrenk, A Kubas, K Fink, A Schnepf
Angewandte Chemie International Edition 50 (32), 7273-7277, 2011
232011
Noncovalent Porphyrin–Graphene Oxide Nanohybrids: The pH-Dependent Behavior
E Gacka, A Wojcik, M Mazurkiewicz-Pawlicka, A Malolepszy, L Stobinski, ...
The Journal of Physical Chemistry C 123 (6), 3368-3380, 2019
222019
Deuterium-labelled N-acyl-l-homoserine lactones (AHLs)—inter-kingdom signalling molecules—synthesis, structural studies, and interactions with model lipid membranes
D Jakubczyk, C Barth, A Kubas, F Anastassacos, P Koelsch, K Fink, ...
Analytical and bioanalytical chemistry 403 (2), 473-482, 2012
222012
Selective Oxidation of 5‐Hydroxymethylfurfural to 2, 5‐Diformylfuran by Visible Light‐Driven Photocatalysis over In Situ Substrate‐Sensitized Titania
A Khan, M Goepel, A Kubas, D Łomot, W Lisowski, D Lisovytskiy, ...
ChemSusChem 14 (5), 1351-1362, 2021
182021
Identification of mutational hot spots for substrate diffusion: Application to myoglobin
D De Sancho, A Kubas, PH Wang, J Blumberger, RB Best
Journal of chemical theory and computation 11 (4), 1919-1927, 2015
182015
Theoretical approach towards the understanding of asymmetric additions of dialkylzinc to enals and iminals catalysed by [2.2] paracyclophane‐based N, O‐ligands
A Kubas, S Bräse, K Fink
Chemistry–A European Journal 18 (27), 8377-8385, 2012
182012
How molecular oxygen binds to bis [trifluoroacetylacetonato (− 1)] cobalt (ii)–ab initio and density functional theory studies
A Kubas, J Hartung, K Fink
Dalton Transactions 40 (42), 11289-11295, 2011
142011
Restricted open-shell configuration interaction singles study on M-and L-edge x-ray absorption spectroscopy of solid chemical systems
A Kubas, M Verkamp, J Vura-Weis, F Neese, D Maganas
Journal of Chemical Theory and Computation 14 (8), 4320-4334, 2018
132018
Lerf–Klinowski-type models of graphene oxide and reduced graphene oxide are robust in analyzing non-covalent functionalization with porphyrins
A Siklitskaya, E Gacka, D Larowska, M Mazurkiewicz-Pawlicka, ...
Scientific reports 11 (1), 1-14, 2021
102021
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