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Noble gas cluster ions
In this work, a reaction mechanism of formation of noble gas (Ng) cluster ions has been theoretically investigated in detail. The kinetic studies of formation of Xe$^+$Xe cluster in Xe, Ar$^+$Ar cluster ions in Ar, and Ne$^+$Ne cluster ions in Ne have been made as theoretically. The optimized struct...
Autores principales: | , , |
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Lenguaje: | eng |
Publicado: |
2018
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Materias: | |
Acceso en línea: | https://dx.doi.org/10.1051/epjconf/201817406003 http://cds.cern.ch/record/2314164 |
Sumario: | In this work, a reaction mechanism of formation of noble gas (Ng) cluster ions has been theoretically investigated in detail. The kinetic studies of formation of Xe$^+$Xe cluster in Xe, Ar$^+$Ar cluster ions in Ar, and Ne$^+$Ne cluster ions in Ne have been made as theoretically. The optimized structures in the ground state were calculated using the density functional theory (DFT) by the B3LYP method combined with the Stuttgart/Dresden effective core potential basis set (SDD). In addition, we calculated the rate constants of all cluster formations. The results are $1.15 \times 10^{-31}, 3.58 \times 10^{−31}, 0.23 \times 10^{−31} \text{cm}^{6}$/s, respectively for Neon, Argon, Xenon cluster ions. |
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