Collection of Czechoslovak Chemical Communications - digital archive 

Individual author index pages

• Pavel Hobza
• Karel Boček
• Hans-Jörg Hofmann
• Zdeněk Slanina

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]
• 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]
• 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]
• 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]
• 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]
• 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]
• Pavel Hobza and Zdeněk Havlas
  Counterpoise-Corrected Potential Energy Surfaces of Simple Hydrogen-Bonded Systems
  1998, Vol. 63, Issue 9, pp. 1343–1354 [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]
• 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]
• 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 Slanina
  Thermodynamics of some model reactions useful for understanding theoretical background of correlation analysis
  1990, Vol. 55, Issue 1, pp. 32–41 [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]
• Zdeněk Slanina, Jerzy M. Rudziński and Eiji Ōsawa
  C₆₀(g), C₇₀(g), saturated carbon vapour and increase of cluster populations with temperature: A combined AM1 quantum-chemical and statistical-mechanical study
  1987, Vol. 52, Issue 12, pp. 2831–2838 [Abstract]
• Hans-Jörg Hofmann, Christine Bartzsch, Cornelius Weiss and Josef Kuthan
  A MO treatment of solvent influence on the amide group rotation in 1-methylnicotinamides
  1985, Vol. 50, Issue 11, pp. 2438–2442 [Abstract]
• Zdeněk Slanina
  On the comparison of the theoretical and experimental data for the kinetics of the Cope rearrangement of 1,5-hexadiene
  1983, Vol. 48, Issue 11, pp. 3027–3032 [Abstract]
• Zdeněk Slanina
  Reduced moment of inertia for internal rotation and quantum-chemical description of thermodynamics of isomeric molecular complexes: Study of HF-ClF system
  1982, Vol. 47, Issue 12, pp. 3206–3220 [Abstract]
• Zdeněk Slanina
  Isomerism, energetics, and thermodynamics of (H₂O)₂ and its role in real gas phase of water
  1980, Vol. 45, Issue 12, pp. 3417–3435 [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]
• 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]
• Zdeněk Slanina and Zbigniew R. Grabowski
  Structure, energy characteristics, and electronic spectra of two isoelectronic radicals, HCN₂ and H₂C₂N: A theoretical study
  1979, Vol. 44, Issue 12, pp. 3441–3451 [Abstract]
• Hans-Jörg Hofmann and Josef Kuthan
  On the conformational structure of nicotinamide and methyl-1,4-dihydronicotinamide
  1979, Vol. 44, Issue 9, pp. 2633–2638 [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]
• Zdeněk Slanina
  Isomerism of activated complexes and tunnel effect and their illustration with an example of cis-trans isomerization kinetics of N₂F₂ (g)
  1978, Vol. 43, Issue 9, pp. 2358–2367 [Abstract]
• Zdeněk Slanina
  Isomerism and energetics of (NO)₂ clusters and their role in real gas phase nitric oxide
  1978, Vol. 43, Issue 8, pp. 1974–1989 [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]