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
1492014
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
972015
Mechanism of O 2 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
662017
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
572016
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
572014
[2.2] Paracyclophane derived bisphosphines for the activation of hydrogen by FLPs: application in domino hydrosilylation/hydrogenation of enones
L Greb, P Oa-Burgos, A Kubas, FC Falk, F Breher, K Fink, J Paradies
Dalton Transactions 41 (30), 9056-9060, 2012
482012
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
392011
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
362014
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
282012
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
252010
Charge Density Analysis of 2-Methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile: An Experimental and Theoretical Study of CNC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
242011
[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
222011
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
192012
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 Brse, K Fink
Chemistry–A European Journal 18 (27), 8377-8385, 2012
182012
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
162015
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
122011
Noncovalent Porphyrin–Graphene Oxide Nanohybrids: The pH-Dependent Behavior
E Gacka, A Wojcik, M Mazurkiewicz-Pawlicka, A Malolepszy, L Stobiński, ...
The Journal of Physical Chemistry C 123 (6), 3368-3380, 2019
102019
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
62018
Erratum:“Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations”[J. Chem. Phys. 140, 104105 (2014)]
A Kubas, F Hoffmann, A Heck, H Oberhofer, M Elstner, J Blumberger
The Journal of Chemical Physics 142 (12), 129905, 2015
52015
Tuning nano-nickel selectivity with tin in flow hydrogenation of 6-methyl-5-hepten-2-one by surface organometallic chemistry modification
M Zienkiewicz-Machnik, I Goszewska, A Śrębowata, A Kubas, D Giziński, ...
Catalysis Today 308, 38-44, 2018
42018
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