Year 2006

• Configurations of H 3 + (H2)n clusters and their energies

  Publication

  • L. Ziemczonek
  • T. Wróblewski

  - CZECHOSLOVAK JOURNAL OF PHYSICS - Year 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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• Measurements of electron drift velocity in OCS

  Publication

  • J. Mechlińska-Drewko
  • E. Rajch
  • T. Wróblewski

  - CZECHOSLOVAK JOURNAL OF PHYSICS - Year 2006

  Wykonano pomiary prędkości dryfu elektronów w funkcji zredukowanego pola elektrycznego E/N. Wyniki tych pomiarów porównano z wynikami pomiarów w CO2 i N2O.

• Proton affinities of simple organic compounds

  Publication

  • T. Wróblewski
  • L. Ziemczonek
  • K. Szerement
  • G. Karwasz

  - CZECHOSLOVAK JOURNAL OF PHYSICS - Year 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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Year 2004

• Proton transfer reactions for ionized water clusters

  Publication

  • T. Wròblewski
  • L. Ziemczonek
  • G. Karwasz

  - CZECHOSLOVAK JOURNAL OF PHYSICS - Year 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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