Collect. Czech. Chem. Commun. 2008, 73, 909-920

Aluminum Siting in the ZSM-22 and Theta-1 Zeolites Revisited: A QM/MM Study

Stepan Sklenaka,*, Jiří Dědečeka, Chengbin Lia, Fei Gaoa, Bavornpon Jansanga, Bundet Boekfaa, Blanka Wichterlováa and Joachim Sauerb

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 182 23 Prague 8, Czech Republic
b Institut für Chemie, Humboldt-Universität zu Berlin, Unter den Linden 6, 10099 Berlin, Germany

Individual author index pages

Other CCCC articles of these authors

  • Jiří Dědeček, Naděžda Žilková, Josef Kotrla and Jiří Čejka*
    (Al)MCM-41 Molecular Sieves. Aluminium Distribution, Uniformity and Structure of Inner Surface
    2003, Vol. 68, Issue 10, pp. 1998–2018 [Abstract]
  • Libor Čapek, Petr Kubánek, Blanka Wichterlová* and Zdeněk Sobalík
    Contribution of Fe and Protonic Sites in Calcined and Steamed ZSM-5 Zeolites to Oxidation of Benzene with N2O to Phenol and Selective Catalytic Reduction of NO with Propane to Nitrogen
    2003, Vol. 68, Issue 10, pp. 1805–1818 [Abstract]
  • Olaf Hübner and Joachim Sauer*
    Electronic States of Fe2S-/0/+
    2003, Vol. 68, Issue 2, pp. 405–422 [Abstract]
  • Pavel Čičmanec*, Josef Tichý and Blanka Wichterlová
    Kinetics of Oxidative Dehydrogenation of Isobutyric Acid Over K2HPMo12O40 Catalyst
    2001, Vol. 66, Issue 4, pp. 575–587 [Abstract]
  • Jiří Dědeček*, Naděžda Žilková and Jiří Čejka
    Uniformity and Ordering of Inner Walls of (Al)MCM-41
    2001, Vol. 66, Issue 4, pp. 567–574 [Abstract]
  • Jiří Dědeček*, Alena Vondrová and Jiří Čejka
    Effect of Framework Charge Density on Catalytic Activity of Copper Loaded Molecular Sieves of Chabazite Structure in Nitrogen(II) Oxide Decomposition
    2000, Vol. 65, Issue 3, pp. 343–351 [Abstract]
  • Dalibor Kaucký, Jiří Dědeček, Alena Vondrová, Zdeněk Sobalík and Blanka Wichterlová
    Siting and Reactivity of the Co Ions in Ferrierite in Selective Catalytic Reduction of NO with CH4
    1998, Vol. 63, Issue 11, pp. 1781–1792 [Abstract]
  • Jiří Čejka, Naděžda Žilková, Judit E. Šponer and Blanka Wichterlová
    Kinetic and Theoretical Study of the Effect of Molecular Sieve Structure on the Selectivity to Propylbenzenes in Alkylation of Benzene with Isopropyl Alcohol
    1998, Vol. 63, Issue 11, pp. 1769–1780 [Abstract]
  • Jiří Dědeček, Alena Vondrová and Jiří Čejka
    Catalytic Activity of Cu Ion-Exchanged Metalloaluminophosphates in NO Decomposition
    1998, Vol. 63, Issue 11, pp. 1755–1768 [Abstract]
  • Joachim Sauer, Klaus-Peter Schröder and Volker Termath
    Comparing the Acidities of Microporous Aluminosilicate and Silico-Aluminophosphate Catalysts: A Combined Quantum Mechanics-Interatomic Potential Function Study
    1998, Vol. 63, Issue 9, pp. 1394–1408 [Abstract]
  • Jan Krtil, Jiří Čejka and Blanka Wichterlová
    Zeolite Silylation for the Enhancement of para-Selectivity in Toluene Alkylation with Ethylene
    1997, Vol. 62, Issue 2, pp. 337–346 [Abstract]
  • Jiří Čejka, Naděžda Žilková and Blanka Wichterlová
    The Effect of Acidity of Al and Fe Silicates with MFI Structure on Benzene and Toluene Alkylation with Isopropyl Alcohol
    1996, Vol. 61, Issue 8, pp. 1115–1130 [Abstract]
  • Jiří Čejka, Alena Vondrová, Blanka Wichterlová, Hans G. Jerschkewitz, Günter Lischke and Ellen Schreier
    The Effect of Extra-Framework Aluminum in Dealuminated ZSM-5 Zeolites on the Transformation of Aromatic Hydrocarbons
    1995, Vol. 60, Issue 3, pp. 412–420 [Abstract]
  • Rudolf Zahradník, Pavel Hobza, Blanka Wichterlová and Jiří Čejka
    Isomorphous Substitution of Si for Al, Ga, Fe, In and B in Molecular Sieves of MFI Structure. A Quantum Chemical, Ammonia Desorption and Catalytic Activity Study of Framework Si-OH-M Acid Site Strength
    1993, Vol. 58, Issue 10, pp. 2474–2488 [Abstract]
  • Blanka Wichterlová, Gert Vorbeck, Rolf Fricke, J. Richter-Mendau and Jiří Čejka
    Structure and Shape-Selective Properties of MFI Type Ferrisilicates. A Comparison with Aluminosilicate Analogues
    1992, Vol. 57, Issue 4, pp. 799–808 [Abstract]
  • Hartmut Mix, Joachim Sauer, Klaus-Peter Schröder and Angela Merkel
    Vibrational properties of surface hydroxyls: Nonempirical model calculations including anharmonicities
    1988, Vol. 53, Issue 10, pp. 2191–2202 [Abstract]
  • Joachim Sauer, Petr Čársky and Rudolf Zahradník
    INDO/S calculations on simple silicon compounds and some silicon organic molecules
    1982, Vol. 47, Issue 4, pp. 1149–1168 [Abstract]
  • Stanislav Beran, Pavel Jírů and Blanka Wichterlová
    A quantum chemical study of butene reactions on molybdate catalysts
    1980, Vol. 45, Issue 10, pp. 2589–2604 [Abstract]
  • Ludmila Kubelková, Jana Nováková, Blanka Wichterlová and Pavel Jírů
    The effect of dehydroxylation of HNaY zeolites on the interaction with ethylene and propylene
    1980, Vol. 45, Issue 8, pp. 2290–2299 [Abstract]
  • Blanka Wichterlová, Ludmila Kubelková, Pavel Jírů and Dana Kolihová
    Preparation of Fe3+HNaY zeolites followed by ESR spectra of the Fe3+ ion
    1980, Vol. 45, Issue 8, pp. 2143–2146 [Abstract]
  • Jana Nováková, Ludmila Kubelková and Blanka Wichterlová
    Influence of preparation conditions on physicochemical properties and catalytic activity of stabilized zeolites
    1980, Vol. 45, Issue 7, pp. 2042–2048 [Abstract]
  • Blanka Wichterlová, Ludmila Kubelková and Pavel Jírů
    Behaviour of CoNaA zeolites in interaction with water
    1980, Vol. 45, Issue 1, pp. 9–16 [Abstract]