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Renata Tokarz-Sobieraj
Renata Tokarz-Sobieraj
dr hab. prof. IKiFP PAN•renata.tokarz-sobieraj@ikifp.edu.pl•+48 12 6395 152•Z-ca dyrektora ds. ogólnych•207•Kataliza heterogeniczna: teoria i eksperyment
Status konta użytkownika to Zatwierdzono
dr hab. prof. IKiFP PAN•renata.tokarz-sobieraj@ikifp.edu.pl•+48 12 6395 152•Z-ca dyrektora ds. ogólnych•207•Kataliza heterogeniczna: teoria i eksperyment
Profil Profil
Tematyka badawcza Tematyka badawcza
Metodyka Metodyka
Publikacje Publikacje
Patenty Patenty
D. Rutkowska-Zbik, A. Drzewiecka-Matuszek, R. Tokarz-Sobieraj, From single Cu atom to sub-nanometric copper clusters deposited on TiO2: DFT study, Structural Chemistry (2024-02-16) .
P. Niemiec, R. Tokarz-Sobieraj, M. Witko, Tungsten and Molybdenum Heteropolyanions with Different Central Ions—Correlation between Theory and Experiment, Molecules 27 (2022-01-01) 187.
R. Tokarz-Sobieraj, P. Niemiec, Oxygen Adsorption and Activation on Cobalt Center in Modified Keggin Anion - DFT Calculations, Catalysts 102 (2020-01-01) 144.
A. Drzewiecka-Matuszek, R. Tokarz-Sobieraj, M. Witko, D. Rutkowska-Zbik, Comparison of Catalytic Properties of Vanadium Centers Introduced Into BEA Zeolite and Present on (010) V2O5 Surface–DFT Studies, Catalysts 10 (2020-01-01) 1080.
R. Karcz, P. Niemiec, K. Pamin, J. Połtowicz, J. Kryściak-Czerwenka, B. Daria Napruszewska, A. Michalik-Zym, M. Witko, R. Tokarz-Sobieraj, E. M. Serwicka, Effect of cobalt location in Keggin-type heteropoly catalysts on aerobic oxidation of cyclooctane: Experimental and theoretical study, Applied Catalysis A: General 542 (2017-01-01) 317-326.
R. Tokarz-Sobieraj, P. Niemiec, Cu2+ in Keggin anion - Influence of copper position on electronic structure/redox properties of heteropolyacids. DFT cluster model study, J. Mol. Struc. 1135 (2017-01-01) 20-25.
E. Lalik, A. Drelinkiewicz, R. Kosydar, R. Tokarz-Sobieraj, M. Witko, T. Szumełda, J. Gurgul, D. Duraczyńska, A role of Au-content in performance of Pd-Au/SiO2 and Pd-Au/Al2O3 catalyst in the hydrogen and oxygen recombination reaction. The microcalorimetric and DFT studies, Appl. Catal. A-Gen. 517 (2016-01-01) 196-210.
R. Tokarz-Sobieraj, R. Grybos, U. Filek, A. Micek-Ilnicka, P. Niemiec, A. Kirpsza, M. Witko, Generation of acidic sites in Al, Ga, in salts of molybdenum and tungsten Keggin-type heteropolyacids. DFT modeling and catalytic tests, Catalysis Today Elsevier 257 (2015-01-01) 72-79.
K. Pamin, J. Połtowicz, M. Prończuk, S. Basąg, J. Maciejewska, J. Kryściak-Czerwenka, R. Tokarz-Sobieraj, Hydroxylation of Phenol by Hydrogen Peroxide Catalyzed by Heteropoly Compounds in Presence of Glycerol as Green Solvent, Catal. Today 257 (2015-01-01) 80-85.
D. Rutkowska-Zbik, R. Tokarz-Sobieraj, M. Witko, Understanding the Mechanisms of Gas-to-Liquid Processes with an Aid of Quantum Chemistry Tools: Case Studies of Shilov Reaction and Natural Gas Aromatization, In: N. Kanellopoulos, G. Marin, G. Centi, J. Thybaut (Eds.), “Small-Scale Gas to Liquid Fuel Synthesis” CRC Press Taylor & Francis GroupBoca Raton FL (2015-01-01) 391-416.
E. Lalik, R. Kosydar, R. Tokarz–Sobieraj, M. Witko, T. Szumełda, M. Kołodziej, W. Rojek, T. Machej, A. Drelinkiewicz, Humidity induced deactivation of Al2O3 and SiO2 supported Pd, Pt, Pd-Pt catalysts in H2 + O2 recombination reaction: the catalytic, microcalorimetric and DFT studies, Appl. Catal. A 501 (2015-01-01) 27-40.
D. Rutkowska-Żbik, R. Gryboś, R. Tokarz-Sobieraj, DFT investigation of molybdenum (oxo)carbide formation from MoO3, Struct Chem 23 (2012-01-01) 1417–1424.
R. Tokarz-Sobieraj, R. Gryboś, M. Witko, Electronic Structure of MoO2. DFT Periodic and Cluster Model Studies, Applied Catal. A 391 (2011-01-01) 137-143.
R. Tokarz-Sobieraj, Kwantowo-chemiczny opis centrów aktywnych w katalizatorach opartych na związkach molibdenu, IKiFP PAN Kraków (2009-01-01) .
M. Szaleniec, R. Tokarz-Sobieraj, W. Witko, Theoretical Study of 1-(4-Hexylcyclohexyl)-4-isothiocyanatobenzene: Molecular Properties and Spectral Characteristics, J. Mol. Model. 15 (2009-01-01) 935-943.
W.Witko, R. Tokarz-Sobieraj, Quantum Modeling of Geometric and Electronic Structures of some Mesogenic Systems, Mol. Crystals Liquid Crystals 480 (2008-01-01) 219-228.
M. Szaleniec, R. Tokarz-Sobieraj, M. Witko, Modification of Tetraphenylporphyrine Ring in Manganese (III) Complexes - Theoretical Description of the Influence on Their Physicochemical Properties, Polish J. Chem. 82 (2008-01-01) 1853-1863.
R. Tokarz-Sobieraj, M. Witko, Electronic Properties of the Active Sites Present at the (011) Surface of MoO2, Adsorption Sci. Technol. 25 (2007-01-01) 583-596.
J. Sloczynski, R. Grabowski, A. Kozlowska, R. Tokarz-Sobieraj, M. Witko, Interaction of Oxygen with the Surface of Vanadia Catalysts, J. Mol. Catal. A 277 (2007-01-01) 27.
D. Rutkowska-Zbik, R. Tokarz-Sobieraj, M. Witko, Quantum Chemical Description of Oxygen Activation Process on Co, Mn, and Mo Metalloporphyrins, J. Chem. Theory Comp. 3 (2007-01-01) 914-920.
M. Witko, R. Gryboś, R. Tokarz-Sobieraj, Heterogeneity of V2O5(010) Surfaces - The Role of Alkali Metal Dopants, Topics Catal. 38 (2006-01-01) 105-115.
J. Handzlik, J. Ogonowski, R. Tokarz-Sobieraj, Dependence of Metathesis Activity of Mo-Methylidene Sites on Their Localisation on (100) ?-Al2O3 - a Theoretical Study, Catal. Today 101 (2005-01-01) 241-253.
R. Tokarz-Sobieraj, M. Witko, R. Gryboś, DFT Cluster Model Studies on Molybdena and Vanadia Based Catalysts. Energetics of Surface Oxygen Point Defects, Catal. Today 99 (2005-01-01) 241-253.
M. Witko, R. Tokarz-Sobieraj, R. Gryboś, Theoretical Basis of the Activation of Light Alkanes", in: "Sustainable Strategies for the Upgrading of Natural Gas: Fundamentals, Challenges, and Opportunities, NATO ASI Series, II. Mathematics, Physics and Chemistry 191 (2005-01-01) 85-105.
R. Tokarz-Sobieraj, R. Gryboś, M. Witko, K. Hermann, Oxygen Sites at Molybdena and Vanadia Surfaces; Energetics of the Reoxidation Process, Coll. Czech. Chem. Commun. 69 (2004-01-01) 121-140.
E. Ilkowska, M. Witko, R. Tokarz, G. Stochel, Quantum Chemical Modelling of the Oxidation of Myoglobin, Polish J. Chem. 78 (2004-01-01) 1907-1924.
M. Witko, R. Tokarz-Sobieraj, Surface Oxygen in Catalysts Based on Transition Metal Oxides; What Can we Learn from Cluster DFT Calculations?, Catal. Today 91-92 (2004-01-01) 171-176.
M. Witko, R. Tokarz, Quantum Chemical Description of the Catalyst Surfaces, Annual Report PAS (2003-01-01) 42-44.
R. Tokarz-Sobieraj, R. Gryboś, M. Witko, Reoxidation of (010)MoO3 and (010)V2O5 Surfaces; Quantum Chemical Modeling, Ann. Polish Chem. Soc. 2 (2003-01-01) 936.

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