12–17 Oct 2015
Trieste - Italy
Europe/Rome timezone

Noble gas cluster ions

13 Oct 2015, 16:25
Oceania (Trieste - Italy)

Oceania

Trieste - Italy

Congress Centre Stazione Marittima Molo Bersaglieri, 3 34123 Trieste Italy
Board: 44
Poster Simulation and Software Poster session & coffee break

Speaker

Mr Yunus KAYA (Uludag University)

Description

In recent decades, quantum chemistry calculations have been used for various chemical fields such as reaction pathway analysis and spectroscopic assignments due to the theoretical developments, especially accuracy improvement of functionals in density functional theory (DFT), and high-speed parallel computers. The kinetic studies of formation Xe+Xe cluster in Xe, Ar+Ar cluster in Ar, and Ne+Ne cluster in Ne have not been found as experimentally or theoretically in literature. Therefore, in this study, we report the DFT-based mechanistic studies and spectroscopic analyses on formations of these clusters. In addition, we will calculate the rate constants all cluster formations.

Primary author

Mr Yunus KAYA (Uludag University)

Co-authors

Dr Rob Veenhof Cern (Cern) Mr Yalçın Kalkan Physics (Uludag University)

Presentation materials