Collection of Czechoslovak Chemical Communications - digital archive 

Individual author index pages

• Rudolf Zahradník
• Pavel Hobza
• Blanka Wichterlová
• Jiří Čejka

Other CCCC articles of these authors

• Michal Pitoňák*, Francesco Aquilante, Pavel Hobza, Pavel Neogrády, Jozef Noga and Miroslav Urban
  Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals
  2011, Vol. 76, Issue 6, pp. 713–742 [Abstract]
• Tomáš Zelený, Pavel Hobza, Dana Nachtigallová*, Matthias Ruckenbauer and Hans Lischka*
  Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA
  2011, Vol. 76, Issue 6, pp. 631–643 [Abstract]
• Adam Pecina, Ondřej Přenosil, Jindřich Fanfrlík, Jan Řezáč, Jaroslav Granatier, Pavel Hobza* and Martin Lepšík*
  On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes
  2011, Vol. 76, Issue 5, pp. 457–479 [Abstract]
• Jan Řezáč, Petr Jurečka, Kevin E. Riley, Jiří Černý, Haydee Valdes, Kristýna Pluháčková, Karel Berka, Tomáš Řezáč, Michal Pitoňák, Jiří Vondrášek and Pavel Hobza*
  Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples
  2008, Vol. 73, Issue 10, pp. 1261–1270 [Abstract] [Full text pdf]
• Naděžda Žilková, Jiří Čejka, Nataliya Murafa and Arnošt Zukal*
  New Templating Route for Synthesis of Mesoporous Alumina
  2008, Vol. 73, Issue 8-9, pp. 1125–1131 [Abstract]
• Jan Řezáč, Karel Berka, Dominik Horinek, Pavel Hobza* and Jiří Vondrášek*
  The Stabilization Energy of the GLU-LYS Salt Bridge in the Protein/Water Environment: Correlated Quantum Chemical ab initio, DFT and Empirical Potential Studies
  2008, Vol. 73, Issue 6-7, pp. 921–936 [Abstract]
• Stepan Sklenak*, Jiří Dědeček, Chengbin Li, Fei Gao, Bavornpon Jansang, Bundet Boekfa, Blanka Wichterlová and Joachim Sauer
  Aluminum Siting in the ZSM-22 and Theta-1 Zeolites Revisited: A QM/MM Study
  2008, Vol. 73, Issue 6-7, pp. 909–920 [Abstract]
• Weizhou Wang and Pavel Hobza*
  Application of Berlin's Theorem to Bond-Length Changes in Isolated Molecules and Red- and Blue-Shifting H-Bonded Clusters
  2008, Vol. 73, Issue 6-7, pp. 862–872 [Abstract]
• Jan Řezáč and Pavel Hobza*
  Correlation Between the Thermodynamic Stability of DNA Duplexes and the Interaction and Solvation Energies of DNA Building Blocks
  2008, Vol. 73, Issue 2, pp. 161–174 [Abstract]
• Martina Bejblová*, Josef Vlk, Dana Procházková, Helena Šiklová and Jiří Čejka
  The Effect of Type of Acid Sites in Molecular Sieves on Activity and Selectivity in Acylation Reactions
  2007, Vol. 72, Issue 5-6, pp. 728–746 [Abstract]
• Marek Slobodník, Milan Hronec*, Zuzana Cvengrošová, Martina Bejblová and Jiří Čejka
  Synthesis of Pyridines Over Zeolites in Gas Phase
  2007, Vol. 72, Issue 5-6, pp. 618–628 [Abstract]
• Pavel Hobza*, Rudolf Zahradník and Klaus Müller-Dethlefs*
  The World of Non-Covalent Interactions: 2006
  2006, Vol. 71, Issue 4, pp. 443–531 [Abstract] [Full text pdf]
• Pavla Prokešová, Nikolay Petkov, Jiří Čejka*, Svetlana Mintova and Thomas Bein
  Micro/Mesoporous Composites Based on Colloidal Zeolite Grown in Mesoporous Matrix
  2005, Vol. 70, Issue 11, pp. 1829–1847 [Abstract]
• Jindřich Fanfrlík, Jaroslav Rejnek, Michal Hanus and Pavel Hobza*
  Hydration Gibbs Energies of Nucleic Acid Bases Determined by Gibbs Energy Perturbation, Continuous and Hybrid Approaches
  2005, Vol. 70, Issue 11, pp. 1756–1768 [Abstract]
• Lenka Lukešová, Róbert Gyepes, Jiří Pinkas, Michal Horáček, Jiří Kubišta, Jiří Čejka and Karel Mach*
  Preparation and Crystal Structure of Bis(tert-butyltetramethylcyclopentadienyl)dichlorotitanium
  2005, Vol. 70, Issue 10, pp. 1589–1603 [Abstract]
• Rudolf Zahradník, Martin Srnec and Zdeněk Havlas*
  Electronic Spectra of Conjugated Polyynes, Cumulenes and Related Systems: A Theoretical Study
  2005, Vol. 70, Issue 5, pp. 559–578 [Abstract]
• Jiří Šponer* and Pavel Hobza*
  Molecular Interactions of Nucleic Acid Bases. A Review of Quantum-Chemical Studies
  2003, Vol. 68, Issue 12, pp. 2231–2282 [Abstract]
• 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]
• Martina Bejblová, Petr Zámostný, Libor Červený* and Jiří Čejka
  Hydrogenation and Hydrogenolysis of Acetophenone
  2003, Vol. 68, Issue 10, pp. 1969–1984 [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]
• Gabriela Košová and Jiří Čejka*
  Incorporation of Aluminum and Iron Into the ZSM-12 Zeolite: Synthesis and Characterization of Acid Sites
  2002, Vol. 67, Issue 12, pp. 1760–1778 [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]
• Patricia J. Kooyman, Markéta Slabová, Vladimír Bosáček, Jiří Čejka, Jiří Rathouský* and Arnošt Zukal
  The Influence of pH on the Structure of Templated Mesoporous Silicas Prepared from Sodium Metasilicate
  2001, Vol. 66, Issue 4, pp. 555–566 [Abstract]
• Róbert Gyepes, Ivana Císařová, Michal Horáček, Jiří Čejka, Lidmila Petrusová and Karel Mach*
  Crystal Structures of Unusual Titanocene By-products from Attempted Dimerization of Terminal Alkynes
  2000, Vol. 65, Issue 8, pp. 1248–1261 [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]
• Hynek Balcar*, Jiří Čejka, Jiří Kubišta, Lidmila Petrusová, Pavel Kubát and Vratislav Blechta
  Preparation and Properties of Isomeric N-(4-Substituted Benzylidene)-4-ethynylanilines and 4-Substituted N-(4-Ethynylbenzylidene)anilines
  2000, Vol. 65, Issue 2, pp. 203–215 [Abstract]
• Róbert Gyepes, Petr Štěpnička, Ulf Thewalt, Miroslav Polášek, Jiří Čejka, Michal Horáček and Karel Mach
  Synthesis and Crystal Structure of (Trimethylsilyl)acetylide-Bridged Dimeric Titanocene
  1998, Vol. 63, Issue 11, pp. 1884–1892 [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]
• Pavel Hobza and Zdeněk Havlas
  Counterpoise-Corrected Potential Energy Surfaces of Simple Hydrogen-Bonded Systems
  1998, Vol. 63, Issue 9, pp. 1343–1354 [Abstract]
• Jiří Čejka, Zdeněk Sobalík and Bohdan Kříbek
  Laboratory Oxidation of Fossil Organic Matter Studiedby in situ Infrared Spectroscopy, Rock-Eval Pyrolysis and Pyrolysis-Gas Chromatography-Mass Spectrometry
  1997, Vol. 62, Issue 2, pp. 364–374 [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]
• Libuše Šroubková, Václav Horák and Rudolf Zahradník
  Is a Gas-Phase Cannizzaro-Type Reaction Perspective?
  1997, Vol. 62, Issue 2, pp. 147–153 [Abstract]
• Jan-Willem F. Kaagman, Marco Rep, Michal Horáček, Petr Sedmera, Jiří Čejka, Vojtech Varga and Karel Mach
  Titanium-Catalyzed [4+2] and [6+2] Cycloadditions of 1,4-Bis(trimethylsilyl)buta-1,3-diyne
  1996, Vol. 61, Issue 12, pp. 1722–1728 [Abstract]
• Jiří Čejka, Luboš Holý, Bohdan Kříbek and Václav Sedláček
  Gas Chromatographic and Mass Spectrometric Characterization of Pyrolysis Products of Fossil Organic Matter from Localities of the Czech Republic
  1996, Vol. 61, Issue 8, pp. 1158–1166 [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]
• Pavel Hobza and Rudolf Zahradník
  World of van der Waals Species
  1993, Vol. 58, Issue 7, pp. 1465–1475 [Abstract]
• Ladislav Češpiva, Vlasta Bonačič-Koutecký, Jaroslav Koutecký, Per Jensen, Vojtěch Hrouda, Petr Čársky, Vladimír Špirko and Pavel Hobza
  Ab initio Calculations of the Rotation-Vibration Spectrum of Na₃⁺
  1993, Vol. 58, Issue 1, pp. 24–28 [Abstract]
• Rudolf Zahradník
  Properties and Reactivity of First and Second Row Hydrides. IV. Interactions Between Hydrides and Their Radical Ions
  1993, Vol. 58, Issue 1, pp. 1–10 [Abstract]
• Pavel Hobza, Heinrich L. Selzle and Edward W. Schlag
  High Level ab initio Calculations on Acetylene Dimer - A Prototype for Estimation of the Accuracy of the Benzene Dimer Stabilization Energy
  1992, Vol. 57, Issue 6, pp. 1186–1190 [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]
• Rudolf Zahradník, Ota Brázda and B. Andes Hess, Jr.
  Beryllium and magnesium hydroxides and fluorides
  1991, Vol. 56, Issue 4, pp. 721–726 [Abstract]
• Rudolf Zahradník and B. Andes Hess, Jr.
  Can fluorosyl hydride be formed or even prepared?
  1990, Vol. 55, Issue 4, pp. 890–895 [Abstract]
• Rudolf Zahradník, Zdeněk Havlas, B. Andes Hess, Jr. and Pavel Hobza
  Properties and reactivity of first and second row hydrides. Introductory remarks, isomerizations, and inversion barriers of the AH₂, AH₃, AH₄ and related systems
  1990, Vol. 55, Issue 4, pp. 869–889 [Abstract]
• Jiří Čejka and Pavel Jírů
  Influence of water on activity, selectivity and deactivation of zeolites in acetone transformation
  1989, Vol. 54, Issue 11, pp. 2998–3002 [Abstract]
• Zdeněk Herman and Rudolf Zahradník
  Calculation of reaction energies for ion-molecule processes of first-row ions and their hydrides
  1989, Vol. 54, Issue 11, pp. 2910–2918 [Abstract]
• Jiří Čejka, Ludmila Kubelková and Pavel Jírů
  Selectivity changes of acetone transformation over ZSM-5 zeolites with different acido-basic properties
  1989, Vol. 54, Issue 8, pp. 2054–2063 [Abstract]
• Helena Petrusová, Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
  A theoretical study on acetylene dimer, acetylene-s-tetrazine and acetylene-benzene associates
  1988, Vol. 53, Issue 11, pp. 2495–2502 [Abstract]
• Pavel Hobza and Paul von Ragué Schleyer
  On the nature of the bonding in X-Be-O molecules (X = He, Ne, Ar)
  1988, Vol. 53, Issue 10, pp. 2230–2238 [Abstract]
• Pavel Hobza and Camille Sandorfy
  On the change of the order od stability of DNA base pairs as a result of the methylation of guanine
  1988, Vol. 53, Issue 9, pp. 1943–1945 [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]
• Jiří Dolanský, Stanislav Heřmánek and Rudolf Zahradník
  Electronic structure and ¹¹B-NMR spectra of nine-vertex heteroboranes: 4-CB₈H₁₄, 4-NB₈H₁₃, 4-SB₈H₁₂ and 4,6-C₂B₇H₁₃
  1981, Vol. 46, Issue 10, pp. 2479–2493 [Abstract]
• Boris F. Minaev and Rudolf Zahradník
  Calculations of quartet state spectra for diatomic species by INDO CI method including spin-orbit coupling perturbation
  1981, Vol. 46, Issue 1, pp. 179–193 [Abstract]
• Miroslav Urban, Soňa Hrivnáková and Pavel Hobza
  Ab initio study of the (BH)₂ dimer
  1980, Vol. 45, Issue 12, pp. 3270–3282 [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]
• Pavel Hobza, Jiří Pancíř and Rudolf Zahradník
  Nature of stationary points on CNDO/2 energy hypersurfaces of van der Waals molecules formed by polar molecules
  1980, Vol. 45, Issue 5, pp. 1323–1330 [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]
• Pavel Hobza, Petr Čársky and Rudolf Zahradník
  The dimer (HCl)₂: Stationary points on the SCF 4-31G energy hypersurface and the role of entropy in the dimer formation
  1979, Vol. 44, Issue 12, pp. 3458–3463 [Abstract]
• Zdeněk Urbanec and Jiří Čejka
  Infrared spectra of liebigite, andersonite, voglite and schroeckingerite
  1979, Vol. 44, Issue 1, pp. 10–23 [Abstract]
• Zdeněk Urbanec and Jiří Čejka
  Infrared spectra of rutherfordine and sharpite
  1979, Vol. 44, Issue 1, pp. 1–9 [Abstract]
• Dietmar Heidrich, Pavel Hobza, Petr Čársky and Rudolf Zahradník
  Effect of correlation energy on the stability of classical and nonclassical structures of protonated benzene
  1978, Vol. 43, Issue 11, pp. 3020–3023 [Abstract]
• Petr Čársky, Rudolf Zahradník, Miroslav Urban and Vladimír Kellӧ
  Ab initio calculations on the equilibrium constant of the reaction NH₂^- + H₂ ⇌ NH₃ + H^- by the SCF and many-body Rayleigh-Schrӧdinger perturbation theory
  1978, Vol. 43, Issue 8, pp. 1965–1973 [Abstract]
• Nguyen Duc Thang, Pavel Hobza, Jiří Pancíř and Rudolf Zahradník
  Semiempirical energy hypersurface of the formaldehyde-water complex and methyl derivatives thereof
  1978, Vol. 43, Issue 5, pp. 1366–1374 [Abstract]
• Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
  An attempt to construct a hybrid intermolecular potential
  1978, Vol. 43, Issue 5, pp. 1356–1365 [Abstract]
• Pavel Hobza, Petr Čársky and Rudolf Zahradník
  Semiempirical EPCE-F2σ correlation energies for Van der Waals complexes and energies of reaction
  1978, Vol. 43, Issue 3, pp. 676–680 [Abstract]
• Pavel Hobza, Karel Boček, Hans-Jörg Hofmann and Zdeněk Slanina
  Gas phase and liquid phase hydration of methanol: Enthalpy and entropy calculations
  1978, Vol. 43, Issue 3, pp. 665–675 [Abstract]