Fragmentation of Singly Ionized Krypton Tetramers

0370551 - ÚGN 2012 PL eng C - Conference Paper (international conference)
Naar, P. - Janeček, Ivan
Fragmentation of Singly Ionized Krypton Tetramers.
Central European Symposium on Theoretical Chemistry /10./. Torun: Nicolaus Copernicus University Faculty of Chemistry, 2011, s. 1-5.
[Central European Symposium on Theoretical Chemistry /10./. Torun (PL), 25.09.2011-28.09.2011]
Institutional research plan: CEZ:AV0Z30860518
Keywords : molecular dynamics * atomic clusters * MD simulations
Subject RIV: DD - Geochemistry

The results of the MD simulations based only on dark dynamics in fragmentation processes of singly ionized krypton tetramers show discrepancy with experiment. However, energetic analysis of final state from MD pseudo-experiment predicts possibility of production sufficient amount of charged monomers, which is comparable with experimental findings. The possible origin of discrepancy can be in unaccounted of radiative vertical transition in the observed system. The results of the MD simulations based only on dark dynamics in fragmentation processes of singly ionized krypton tetramers show discrepancy with experiment. However, energetic analysis of final state from MD pseudo-experiment predicts possibility of production sufficient amount of charged monomers, which is comparable with experimental findings. The possible origin of discrepancy can be in unaccounted of radiative vertical transition in the observed system.
Permanent Link: http://hdl.handle.net/11104/0204328