Repozytorium publikacji - Politechnika Gdańska

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.

Autorzy

• T. Wròblewski,
• dr Leszek Ziemczonek link otwiera się w nowej karcie ,
• G.p. Karwasz