Collection of Czechoslovak Chemical Communications - digital archive 

Individual author index pages

• Joachim Sauer
• Petr Čársky
• Rudolf Zahradník

Other CCCC articles of these authors

• Libor Veis, Petr Čársky, Jiří Pittner and Josef Michl*
  Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C₅H_2n, n = 0-4
  2008, Vol. 73, Issue 11, pp. 1525–1551 [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]
• 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]
• 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]
• Oscar Rey Puiggros, Jiří Pittner*, Petr Čársky*, Philipp Stampfuss and Wolfgang Wenzel
  Multireference Brillouin-Wigner Coupled Cluster Singles and Doubles (MRBWCCSD) and Multireference Doubles Configuration Interaction (MRD-CI) Calculations for the Bergman Cyclization Reaction
  2003, Vol. 68, Issue 12, pp. 2309–2321 [Abstract]
• Olaf Hübner and Joachim Sauer*
  Electronic States of Fe₂S^-/0/+
  2003, Vol. 68, Issue 2, pp. 405–422 [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]
• Petr Čársky and Tomáš Reschel
  Evaluation of Molecular Integrals in a Mixed Gaussian and Plane-Wave Basis by Means of the Faddeeva Function and Its Derivatives
  1998, Vol. 63, Issue 8, pp. 1264–1284 [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]
• Petr Čársky, Vojtěch Hrouda, Vladimír Sychrovský, Ivan Hubač, Peter Babinec, Pavol Mach, Ján Urban and Jozef Mášik
  Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory
  1995, Vol. 60, Issue 9, pp. 1419–1428 [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]
• 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]
• 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]
• 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]
• 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]
• 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]
• B. Andes Hess, Jr., Jiani Hu, Lawrence J. Schaad and Petr Čársky
  The computation of vibrational spectra of triplet species
  1988, Vol. 53, Issue 9, pp. 1981–1988 [Abstract]
• Vladimír Špirko, Svatopluk Civiš, Stanislav Beran, Petr Čársky and Jürgen Fabian
  Reduced double-minimum potential curves for XY₃ pyramidal molecules
  1985, Vol. 50, Issue 7, pp. 1519–1536 [Abstract]
• Ivan Kozák, Vladimír Špirko and Petr Čársky
  Ab initio calculations of the ground state potential function of the hydroxyl anion by means of the many-body Rayleigh-Schrödinger perturbation theory
  1981, Vol. 46, Issue 11, pp. 2595–2599 [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]
• Ivan Kozák and Petr Čársky
  Ab initio calculation of the equilibrium constant of the reaction Na + H₂O ⇌ NaOH + H
  1981, Vol. 46, Issue 9, pp. 2146–2148 [Abstract]
• Petr Čársky and Ivan Hubač
  Correlation energy in triplet electronic states. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism
  1981, Vol. 46, Issue 6, pp. 1324–1331 [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]
• 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]
• 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]
• Petr Čársky
  Quantum mechanical tunnelling in the processes D + H₂ → DH + H and CH₄ + H → CH₃ + H₂. Eckart's tunnelling corrections for rate constants given by ab initio calculations
  1979, Vol. 44, Issue 12, pp. 3452–3457 [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]