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Proton transfer reactions for ionized water clusters

Abstract

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 on formation and ionization of water clusters. Calculations were made using ab initio Hartree-Fock method for 4-31G and 6-311G** atomic orbitals basis sets.

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Authors (3)

  • Photo of  T. Wròblewski

    T. Wròblewski

    • Pomeranian Pedagogical Academy .
  • Photo of dr Leszek Ziemczonek

    Leszek Ziemczonek dr

    • Pomeranian Pedagogical Academy .
  • Photo of  G.p. Karwasz

    G.p. Karwasz

    • Pomeranian Pedagogical Academy .

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Details

Category:
Articles
Type:
publikacja w in. zagranicznym czasopiśmie naukowym (tylko język obcy)
Published in:
CZECHOSLOVAK JOURNAL OF PHYSICS no. 54, edition 3, pages 747 - 752,
ISSN: 0011-4626
Language:
English
Publication year:
2004
Bibliographic description:
Wròblewski T., Ziemczonek L., Karwasz G.. Proton transfer reactions for ionized water clusters. CZECHOSLOVAK JOURNAL OF PHYSICS, 2004, Vol. 54, iss. 3, s.747-752
DOI:
Digital Object Identifier (open in new tab) 10.1007/bf03166481
Verified by:
Gdańsk University of Technology

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