Search Results - "Witko, M."

Asymmetric reduction of ketones and β-keto esters by (S)-1-phenylethanol dehydrogenase from denitrifying bacterium Aromatoleum aromaticum by Dudzik, A, Snoch, W, Borowiecki, P, Opalinska-Piskorz, J, Witko, M, Heider, J, Szaleniec, M

“…Enzyme-catalyzed enantioselective reductions of ketones and keto esters have become popular for the production of homochiral building blocks which are valuable…”
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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 by Lalik, E., Drelinkiewicz, A., Kosydar, R., Tokarz-Sobieraj, R., Witko, M., Szumełda, T., Gurgul, J., Duraczyńska, D.

“…[Display omitted] •Hydrogen and oxygen reaction on Al2O3 and SiO2 supported Pd, Pd-Au catalysts.•Activity and deactivation studied by microcalorimetric…”
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Investigating Tautomeric Polymorphism in Crystalline Anthranilic Acid Using Terahertz Spectroscopy and Solid-State Density Functional Theory by Delaney, Sean P, Witko, Ewelina M, Smith, Tiffany M, Korter, Timothy M

“…Terahertz spectroscopy is sensitive to the interactions between molecules in the solid-state and recently has emerged as a new analytical tool for…”
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Investigation of the Low-Frequency Vibrations of Crystalline Tartaric Acid Using Terahertz Spectroscopy and Solid-State Density Functional Theory by Witko, Ewelina M, Korter, Timothy M

“…The room temperature and cryogenic terahertz (THz) spectra (10–95 cm–1) of l-tartaric acid and dl-tartaric acid were investigated. At 293 K, the l-tartaric…”
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Generation of acidic sites in Al, Ga, In salts of molybdenum and tungsten Keggin-type heteropolyacids. DFT modeling and catalytic tests by Tokarz-Sobieraj, R., Grybos, R., Filek, U., Micek-Ilnicka, A., Niemiec, P., Kirpsza, A., Witko, M.

“…•MePMo salts exhibit weak redox properties while MePW is not active in redox reaction.•Both types of salts MePW and MePMo are active in acidic…”
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Humidity induced deactivation of Al2O3 and SiO2 supported Pd, Pt, Pd-Pt catalysts in H2+O2 recombination reaction: The catalytic, microcalorimetric and DFT studies by Lalik, E., Kosydar, R., Tokarz-Sobieraj, R., Witko, M., Szumełda, T., Kołodziej, M., Rojek, W., Machej, T., Bielańska, E., Drelinkiewicz, A.

“…•Hydrogen and oxygen reaction on Al2O3 and SiO2 supported Pd, Pt and Pd-Pt.•Activity and deactivation studied by catalytic and microcalorimetric methods.•Pt…”
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Oxidation catalysis-electronic theory revisited by HABER, J, WITKO, M

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Factors controlling the reactivity of divalent metal ions towards pheophytin a by Orzeł, Ł., Waś, J., Kania, A., Susz, A., Rutkowska-Zbik, D., Staroń, J., Witko, M., Stochel, G., Fiedor, L.

“…In this study, we evaluate the factors which determine the reactivity of divalent metal ions in the spontaneous formation of metallochlorophylls, using…”
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Molecular and dissociative adsorption of water at low-index V2O5 surfaces: DFT studies using cluster surface models by HEJDUK, P, SZALENIEC, M, WITKO, M

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Properties of oxygen sites at the MoO3(010) surface : density functional theory cluster studies and photoemission experiments by TOKARZ-SOBIERAJ, R, HERMANN, K, WITKO, M, BLUME, A, MESTL, G, SCHLÖGL, R

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Allylic oxidation of cyclohexene catalyzed by manganese porphyrins: DFT studies by Rutkowska-Zbik, D., Witko, M., Serwicka, E.M.

“…The present paper summarizes density functional theory studies on hydroxylation of cyclohexene catalyzed by manganese oxo porphyrin. The reaction is preceded…”
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Quantum Chemical Description of Oxygen Activation Process on Co, Mn, and Mo Porphyrins by Rutkowska-Zbik, D, Tokarz-Sobieraj, R, Witko, M

“…The aim of the present theoretical study is to examine the dioxygen activation process occurring at the metalloporphyrin complexes as the first step of the…”
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Adsorption and reactions at the (010) V2O5 surface: cluster model studies by Witko, M, Hermann, K, Tokarz, R

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Effect of additives on properties of vanadia-based catalysts for oxidative dehydrogenation of propane: Experimental and quantum chemical studies by Klisińska, A., Haras, A., Samson, K., Witko, M., Grzybowska, B.

“…DFT calculations for VO x A cluster where A: K, P, Ni, Cr, Mo, show good agreement between the extent of electron transfer from A to VO x and propene…”
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Interaction of oxygen with the surface of vanadia catalysts by Słoczyński, J., Grabowski, R., Kozłowska, A., Tokarz-Sobieraj, R., Witko, M.

“…The kinetics of the reoxidation of the reduced VO x /TiO 2 catalysts was studied. It was found that oxygen does not adsorb in form of ad-atoms on the fully…”
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Oxygen vacancies at oxide surfaces: ab initio density functional theory studies on vanadium pentoxide by Hermann, K., Witko, M., Druzinic, R., Tokarz, R.

“…The local electronic structure at the V2O5(010) surface is studied by ab initio density functional theory (DFT) methods using gradient-corrected functionals…”
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Ab initio density functional theory studies on oxygen stabilization at the V2O3(0 0 0 1) surface by CZEKAJ, I, HERMANN, K, WITKO, M

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Relaxation and electronic structure of the V2O3(0001) surface: ab initio cluster model studies by CZEKAJ, I, HERMANN, K, WITKO, M

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Properties and identification of oxygen sites at the V2O5(010) surface: theoretical cluster studies and photoemission experiments by Hermann, K, Witko>, M, Druzinic, R, Chakrabarti, A, Tepper, B, Elsner, M, Gorschlüter, A, Kuhlenbeck, H, Freund, H.J

“…Density functional theory cluster studies and angular resolved photoemission (ARUPS) measurements were performed to examine properties of differently…”
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Different adsorbate binding mechanisms of hydrocarbons : Theoretical studies for Cu(111)-C2H2 and Cu(111)-C2H4 by WITKO, M, HERMANN, K

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