S. Sklenak

Most-cited papers

1. Aluminum siting in silicon-rich zeolite frameworks: a combined high-resolution (27)Al NMR spectroscopy and quantum mechanics / molecular mechanics study of ZSM-5.

   S. Sklenak, J. Dědeček, Cheng-Bin Li, B. Wichterlová +3 more

   2007Angewandte Chemie253 citations

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2. FTIR and 27Al MAS NMR analysis of the effect of framework Al- and Si-defects in micro- and micro-mesoporous H-ZSM-5 on conversion of methanol to hydrocarbons

   P. Sazama, B. Wichterlová, J. Dědeček, Z. Tvarůžková +4 more

   2011199 citations

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3. Aluminium siting in the ZSM-5 framework by combination of high resolution 27Al NMR and DFT/MM calculations.

   S. Sklenak, J. Dědeček, Cheng-Bin Li, B. Wichterlová +3 more

   2009Physical Chemistry, Chemical Physics - PCCP176 citations

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4. Tuning the Aluminum Distribution in Zeolites to Increase their Performance in Acid-Catalyzed Reactions.

   J. Dědeček, E. Tabor, S. Sklenak

   2018ChemSusChem164 citations

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5. Role of the Fe-zeolite structure and iron state in the N2O decomposition: Comparison of Fe-FER, Fe-BEA, and Fe-MFI catalysts

   Kamil Jíša, J. Novakova, M. Schwarze, Alena Vondrová +2 more

   2009147 citations

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6. N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined periodic DFT and multispectral study

   S. Sklenak, Prokopis C. Andrikopoulos, B. Boekfa, B. Jansang +6 more

   2010130 citations

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7. Effect of Al−Si−Al and Al−Si−Si−Al Pairs in the ZSM-5 Zeolite Framework on the 27Al NMR Spectra. A Combined High-Resolution 27Al NMR and DFT/MM Study

   J. Dědeček, S. Sklenak, Cheng-Bin Li, B. Wichterlová +4 more

   2009129 citations

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8. Tailoring of the structure of Fe-cationic species in Fe-ZSM-5 by distribution of Al atoms in the framework for N2O decomposition and NH3-SCR-NOx

   P. Sazama, B. Wichterlová, E. Tabor, P. Stastny +6 more

   2014118 citations

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9. Structure of framework aluminum Lewis sites and perturbed aluminum atoms in zeolites as determined by 27Al{1H} REDOR (3Q) MAS NMR spectroscopy and DFT/molecular mechanics.

   J. Brus, L. Kobera, Wolfgang Schoefberger, M. Urbanová +6 more

   2014Angewandte Chemie107 citations

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10. Al-rich beta zeolites. Distribution of Al atoms in the framework and related protonic and metal-ion species

    P. Sazama, E. Tabor, P. Klein, B. Wichterlová +5 more

    2016101 citations

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11. Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites

    J. Dědeček, Melissa J. Lucero, Cheng-Bin Li, F. Gao +5 more

    201194 citations

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12. Effect of Enhanced Accessibility of Acid Sites in Micromesoporous Mordenite Zeolites on Hydroisomerization of n-Hexane

    J. Pastvová, Dalibor Kaucký, Jaroslava Moravkova, J. Rathouský +8 more

    201792 citations Open access

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13. Structure and critical function of Fe and acid sites in Fe-ZSM-5 in propane oxidative dehydrogenation with N2O and N2O decomposition

    P. Sazama, N. K. Sathu, E. Tabor, B. Wichterlová +2 more

    201386 citations

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14. Location of Framework Al Atoms in the Channels of ZSM-5: Effect of the (Hydrothermal) Synthesis.

    V. Pashkova, S. Sklenak, P. Klein, M. Urbanová +1 more

    2016Chemistry77 citations

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15. Al Organization in the SSZ-13 Zeolite. Al Distribution and Extraframework Sites of Divalent Cations

    K. Mlekodaj, J. Dědeček, V. Pashkova, E. Tabor +8 more

    2018Journal of Physical Chemistry C76 citations

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16. Effect of Al/Si Substitutions and Silanol Nests on the Local Geometry of Si and Al Framework Sites in Silicone-Rich Zeolites: A Combined High Resolution 27Al and 29Si NMR and Density Functional Theory/Molecular Mechanics Study

    J. Dědeček, S. Sklenak, Cheng-Bin Li, F. Gao +3 more

    200974 citations

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17. Acid and redox activity of template-free Al-rich H-BEA* and Fe-BEA* zeolites

    P. Sazama, B. Wichterlová, S. Sklenak, V. Pârvulescu +6 more

    201459 citations

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18. Aluminum distribution and active site locations in the structures of zeolite ZSM-5 catalysts.

    P. Rzepka, T. Huthwelker, J. Dědeček, E. Tabor +4 more

    2025Science56 citations Open access

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19. Remarkably enhanced density and specific activity of active sites in Al-rich Cu-, Fe- and Co-beta zeolites for selective catalytic reduction of NOx

    P. Sazama, Radim Pilař, Lukasz Mokrzycki, Alena Vondrová +5 more

    201652 citations

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20. A comprehensive investigation of the chemistry and basicity of a parent amidoruthenium complex.

    J. R. Fulton, S. Sklenak, M. W. Bouwkamp, R. G. Bergman

    2002Journal of the American Chemical Society51 citations Open access

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21. Effect of the Nuclearity and Coordination of Cu and Fe Sites in β Zeolites on the Oxidation of Hydrocarbons

    P. Sazama, Jaroslava Moravkova, S. Sklenak, Alena Vondrová +3 more

    202048 citations

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22. Application of recurrent neural networks in chemistry. Prediction and classification of carbon-13 NMR chemical shifts in a series of monosubstituted benzenes

    V. Kvasnicka, S. Sklenak, Jiri Pospíchal

    1992Journal of chemical information and computer sciences48 citations

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23. Dioxygen dissociation over man-made system at room temperature to form the active α-oxygen for methane oxidation

    E. Tabor, J. Dědeček, K. Mlekodaj, Z. Sobalik +2 more

    2020Science Advances46 citations Open access

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24. Effect of the Al Siting on the Structure of Co(II) and Cu(II) Cationic Sites in Ferrierite. A Periodic DFT Molecular Dynamics and FTIR Study

    S. Sklenak, Prokopis C. Andrikopoulos, Sarah R. Whittleton, H. Jirglová +5 more

    201346 citations

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25. Multiple Adsorption of NO on Fe2+ Cations in the α- and β-Positions of Ferrierite: An Experimental and Density Functional Study

    L. Benco, Tomáš Bučko, R. Grybos, J. Hafner +4 more

    200742 citations

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26. Unprecedented propane–SCR-NOx activity over template-free synthesized Al-rich Co-BEA∗ zeolite

    P. Sazama, Lukasz Mokrzycki, B. Wichterlová, Alena Vondrová +4 more

    201540 citations

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27. Superior activity of non-interacting close acidic protons in Al-rich Pt/H-*BEA zeolite in isomerization of n-hexane

    P. Sazama, Dalibor Kaucký, Jaroslava Moravkova, Radim Pilař +6 more

    201739 citations

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28. Catalytic mechanism of yeast cytosine deaminase: an ONIOM computational study.

    S. Sklenak, L. Yao, R. Cukier, Hong-Gao Yan

    2004Journal of the American Chemical Society39 citations

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29. Low-temperature selective oxidation of methane over distant binuclear cationic centers in zeolites

    E. Tabor, Mariia Lemishka, Z. Sobalik, K. Mlekodaj +3 more

    2019Communications Chemistry37 citations Open access

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30. Enols of Carboxylic Acid Amides with β-Electron-Withdrawing Substituents

    J. Mukhopadhyaya, S. Sklenak, Z. Rappoport

    200035 citations

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31. Tailoring the structure and acid site accessibility of mordenite zeolite for hydroisomerisation of n-hexane

    J. Pastvová, Radim Pilař, Jaroslava Moravkova, Dalibor Kaucký +3 more

    2018Applied Catalysis A : General28 citations

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32. ALUMINUM SITING IN THE ZSM-22 AND THETA-1 ZEOLITES REVISITED : A QM/MM STUDY

    S. Sklenak, J. Dědeček, Cheng-Bin Li, F. Gao +4 more

    200827 citations

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33. Solvation and structural effects on the stability of 10-X-2 ate-complexes: a computational study.

    K. B. Wiberg, S. Sklenak, W. Bailey

    2000Journal of Organic Chemistry25 citations

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34. Calculated pKEnol Values for Enols of Carboxylic Acid Derivatives HCC(OH)X (X = OH, NH2, NMe2, OMe, OCHO, F, Cl, Br)

    S. Sklenak, Y. Apeloig, Z. Rappoport

    199825 citations

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35. Ab initio study of small organic azides

    S. Sklenak, Anton Gatial, S. Biskupic

    199725 citations

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36. A molecular dynamics exploration of the catalytic mechanism of yeast cytosine deaminase.

    L. Yao, S. Sklenak, Hong-Gao Yan, R. Cukier

    2005Journal of Physical Chemistry B24 citations

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37. Solvent effects on methyl transfer reactions. 2. The reaction of amines with trimethylsulfonium salts.

    Henry J. Castejón, K. B. Wiberg, S. Sklenak, W. Hinz

    2001Journal of the American Chemical Society24 citations

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38. Permanganate oxidation of alkenes. Substituent and solvent effects. Difficulties with MP2 calculations.

    K. B. Wiberg, Yi-Gui Wang, S. Sklenak, C. Deutsch +1 more

    2006Journal of the American Chemical Society23 citations

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39. Neural network classification of inductive and resonance effects of substituents

    V. Kvasnicka, S. Sklenak, Jiri Pospíchal

    199321 citations

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40. The vibrational and NMR spectra, conformations and ab initio calculations of aminomethylene, propanedinitrile and itsN-methyl derivatives

    A. Gatial, S. Sklenak, V. Milata, P. Klaeboe +3 more

    199620 citations

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41. Application of neural networks with feedback connections in chemistry: prediction of 13C NMR chemical shifts in a series of monosubstituted benzenes

    V. Kvasnicka, S. Sklenak, Jiri Pospíchal

    199220 citations

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42. Splitting Dioxygen over Distant Binuclear Fe Sites in Zeolites. Effect of the Local Arrangement and Framework Topology

    E. Tabor, Mariia Lemishka, J. Olszówka, K. Mlekodaj +3 more

    2021ACS Catalysis18 citations

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43. TNU-9 Zeolite: Aluminum Distribution and Extra-Framework Sites of Divalent Cations.

    R. Karcz, J. Dědeček, Barbara Supronowicz, Haunani M. Thomas +5 more

    2017Chemistry18 citations

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44. Catalytic and Photochemical Cyclopropanation of Alkenes with Methyl Diazo(trialkylsilyl)acetates: Steric Effects and Thermodynamic Stabilities of Cyclopropanes

    G. Maas, M. Alt, D. Mayer, U. Bergsträsser +3 more

    200117 citations

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45. Local Structure of Cationic Sites in Dehydrated Zeolites Inferred from 27Al Magic-Angle Spinning NMR and Density Functional Theory Calculations. A Study on Li-, Na-, and K-Chabazite

    P. Klein, V. Pashkova, Haunani M. Thomas, Sarah R. Whittleton +4 more

    201616 citations Open access

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46. Equilibria of simple thioenol/thiocarbonyl pairs. Comparison with the oxygen analogs and with the parent selenium and tellurium systems. A theoretical study

    S. Sklenak, Y. Apeloig, Z. Rappoport

    200016 citations

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47. Cyano-, nitro-, and alkoxycarbonyl-activated observable stable enols of carboxylic acid amides

    Jayanta Kumar Mukhopadhyaya, S. Sklenak, Z. Rappoport

    2000Journal of Organic Chemistry15 citations

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48. Polycyclic Arene Episulfides. Attempted Synthesis, Molecular Orbital Calculations and Comparison with Arene Oxides

    U. Zoller, Elias Shakkour, Irine Pastersky, S. Sklenak +1 more

    199815 citations

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49. Activation of molecular oxygen over binuclear iron centers in Al-rich *BEA zeolite

    A. Kornas, E. Tabor, Dominik K. Wierzbicki, J. Olszówka +7 more

    2023Applied Catalysis B: Environmental14 citations Open access

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50. Controlling the competitive growth of zeolite phases without using an organic structure-directing agent. Synthesis of Al-rich *BEA

    Radim Pilař, Jaroslava Moravkova, G. Sádovská, S. Sklenak +3 more

    2022Microporous and Mesoporous Materials14 citations Open access

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