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Author Kaya, Yunus ♦ Kalkan, Yalçin ♦ Veenhof, Rob
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Copyright Year ©2018
Abstract 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 × 10−31, 3.58 × 10−31, 0.23 × 10−31cm6/s, respectively for Neon, Argon, Xenon cluster ions.
Learning Resource Type Article
Publisher Date 2018-01-01
Journal EPJ Web of Conferences
Issue Number 174