Collect. Czech. Chem. Commun. 1987, 52, 535-540
https://doi.org/10.1135/cccc19870535

Quasiclassical trajectory study of the CH2 + O2 reaction

Ján Urban, Viliam Klimo and Jozef Tiňo

Polymer Institute, Centre of Chemical Research, Slovak Academy of Sciences, 842 36 Bratislava

Individual author index pages


Other CCCC articles of these authors

  • Jozef Mášik, Pavel Mach, Ján Urban, Martin Polášek, Peter Babinec and Ivan Hubač
    Single-Root Multireference Brillouin-Wigner Coupled-Cluster Theory. Rotational Barrier of the Ethylene Molecule
    1998, Vol. 63, Issue 8, pp. 1213–1222 [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]
  • 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]
  • 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]
  • Martina Bittererová, Stanislav Biskupič, Hans Lischka and Viliam Klimo
    Ab initio Study of the Potential Curves for CO (X1Σ+), CH (X2Π) and OH (X2Π)
    1994, Vol. 59, Issue 6, pp. 1241–1250 [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]
  • Viliam Klimo and Jozef Tiňo
    Study of potential curves by UHF type methods. CH4 molecule and its dissociation products
    1986, Vol. 51, Issue 4, pp. 731–737 [Abstract]
  • Josef Bartoš and Jozef Tiňo
    A study of the mechanism of decay of alkyl macroradicals in isotactic polypropylene
    1985, Vol. 50, Issue 6, pp. 1391–1401 [Abstract]
  • Viliam Klimo and Jozef Tiňo
    Study of potential curves by UHF-type methods. Linearized coupled cluster methods with double substitution
    1985, Vol. 50, Issue 5, pp. 995–1000 [Abstract]
  • Viliam Klimo and Jozef Tiňo
    Study of potential curves by UHF type methods. Inversion and dissociation of NH3 molecule
    1984, Vol. 49, Issue 8, pp. 1731–1735 [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]
  • Viliam Klimo and Jozef Tiňo
    Study of potential curves by UHF-type methods. Homonuclear diatomics of second row atoms
    1981, Vol. 46, Issue 13, pp. 3171–3178 [Abstract]
  • Viliam Klimo and Jozef Tiňo
    Study of potential curves by UHF type methods. Potential curve of F2 molecule
    1981, Vol. 46, Issue 6, pp. 1365–1369 [Abstract]
  • Jozef Tiňo, Viliam Klimo and Michael M. Mestechkin
    A simple way of calculation of spin densities from RHF wave function
    1980, Vol. 45, Issue 12, pp. 3283–3286 [Abstract]
  • Jozef Tiňo, Wilfried Kühnel and Viliam Klimo
    Problem of spin contamination and basis set in ab initio UHF spin density calulations
    1978, Vol. 43, Issue 1, pp. 30–36 [Abstract]