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Zdjęcie profilowe: dr Leszek Ziemczonek

dr Leszek Ziemczonek

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wszystkich: 12

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  • Rok

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Katalog Publikacji

Rok 2007
Rok 2006
  • Configurations of H 3 + (H2)n clusters and their energies
    Publikacja

    - CZECHOSLOVAK JOURNAL OF PHYSICS - Rok 2006

    The H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...

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  • Proton affinities of simple organic compounds
    Publikacja

    - CZECHOSLOVAK JOURNAL OF PHYSICS - Rok 2006

    The Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.

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Rok 2005
  • Proton affinity and proton transfer energy for selected organic molecules
    Publikacja

    - Rok 2005

    The Hartree-Fock method in 6-311G** molecular orbitals basis set has been applied to calculations of proton affinities and proton transfer reaction energies for water, methanol, acetaldehyde, ethanol, acetone, acetic acid, methyl acetate and ethyl acetate.

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Rok 2004
  • Proton transfer reactions for ionized water clusters
    Publikacja

    - CZECHOSLOVAK JOURNAL OF PHYSICS - Rok 2004

    Calculations of formation energies of the ionized water clusters and energies of reactions between small (including less than eight water molecules) neutral and positively ionized water clusters are presented. Moreover, we discuss some reaction paths between neutral and positively charged dimers, trimers and tetramers and proton transfer reactions (PTR) between cyclic clusters and H3O+ ions which can appear in beam experiments...

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Rok 2003
  • Dissociation energies of protonated water clusters
    Publikacja

    - RADIATION PHYSICS AND CHEMISTRY - Rok 2003

    Relative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...

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  • Dissociation pathways of protonated water clusters
    Publikacja

    - Rok 2003

    Relative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n=4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...

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Rok 1991
Rok 1987
Rok 1985
Rok 1984

wyświetlono 898 razy