Collect. Czech. Chem. Commun. 1998, 63, 1213-1222
https://doi.org/10.1135/cccc19981213

Single-Root Multireference Brillouin-Wigner Coupled-Cluster Theory. Rotational Barrier of the Ethylene Molecule

Jozef Mášika, Pavel Macha, Ján Urbana, Martin Polášekb, Peter Babineca and Ivan Hubača,b

a Department of Chemical Physics, Comenius University, 842 15 Bratislava, Slovak Republic
b Faculty of Science, Silesian University, 746 01 Opava, Czech Republic

Individual author index pages


Other CCCC articles of these authors

  • Ondrej Kyseľ*, György Juhász and Pavel Mach
    Theoretical Study of Solvent Effect on π-EDA Complexation I. SCF and DFT Calculations Within Polarized Continuum Model on TCNE-Benzene Complex
    2003, Vol. 68, Issue 12, pp. 2355–2376 [Abstract]
  • Štefan Varga, Pavel Mach and Ladislav Turi Nagy*
    Solvation Effects of Complex Anions in Cryolite Melt
    1999, Vol. 64, Issue 9, pp. 1385–1392 [Abstract]
  • Jaroslav Litera, Miloš Buděšínský, Ján Urban and Milan Souček
    Peptide Inhibitors of Aspartic Proteinases with Hydroxyethylene Isostere Replacement of Peptide Bond. I. Preparation of Four Diastereoisomeric (2R or 2S,4R or 4S,5S)-2-Benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoic Acids
    1998, Vol. 63, Issue 2, pp. 231–244 [Abstract]
  • Jozef Mášik and Ivan Hubač
    Comparison of the Brillouin-Wigner Coupled Cluster Theory with the Standard Coupled Cluster Theory. Cancellation of Disconnected Terms in the Brillouin-Wigner Coupled Cluster Theory
    1997, Vol. 62, Issue 6, pp. 829–842 [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]
  • Ivona Malijevská and Martin Polášek
    Infrared Study of Acetic Acid Solutions in CCl4
    1995, Vol. 60, Issue 7, pp. 1094–1100 [Abstract]
  • Milan Souček and Ján Urban
    An Efficient Method for Preparation of Optically Active N-Protected α-Amino Aldehydes from N-Protected α-Amino Alcohols
    1995, Vol. 60, Issue 4, pp. 693–696 [Abstract]
  • Viliam Klimo, Martina Bittererová, Stanislav Biskupič, Ján Urban and Miroslav Micov
    Temperature Dependences in the O + OH → O2 + H Reaction. Quasiclassical Trajectory Calculation
    1993, Vol. 58, Issue 2, pp. 234–243 [Abstract]
  • Milan Souček, Ján Urban and David Šaman
    Preparation of N-protected α-amino alcohols by acetoxyborohydride reduction of N-protected α-amino acid esters
    1990, Vol. 55, Issue 3, pp. 761–765 [Abstract]
  • Ján Urban, Petr Kuzmič, David Šaman and Milan Souček
    Regioselectivity of nucleophilic aromatic photosubstitution in the biphenyl series. Photohydrolysis of some dimethoxynitrobiphenyls
    1987, Vol. 52, Issue 10, pp. 2482–2491 [Abstract]
  • Ján Urban, Viliam Klimo and Jozef Tiňo
    Quasiclassical trajectory study of the CH2 + O2 reaction
    1987, Vol. 52, Issue 2, pp. 535–540 [Abstract]
  • Ján Urban, Viliam Klimo and Jozef Tiňo
    Quantum chemical modelling of reactions in hydrocarbon combustion. Study of the CH4 + O2 reactions
    1984, Vol. 49, Issue 6, pp. 1440–1447 [Abstract]
  • Ján Urban, Viliam Klimo and Jozef Tiňo
    Quantum chemical modelling of the reactions participating in hydrocarbon combustion. Production of the H atoms
    1984, Vol. 49, Issue 6, pp. 1432–1439 [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]