Book of Abstracts Book of Abstracts - Universität Konstanz

A - 14
118
Computational Study of (H2S) 2≤ n ≤ 10 Clusters
Mehmet Bahat and Ziya Kantarci
Gazi University, Physics Department, 06500, Teknikokullar, Ankara, Turkey.
Molecular clusters are the subject of continuing investigations both experimentally and
theoretically in recent years. One of them water clusters have been the subject of significant
research activity. However, little information for the H2S clusters is available from theoretical
and experimental point of view at present. Most calculations have focused on the dimer
structure. Experimentally photoionization studies for the H2S clusters through heptamer have
been studied.
We have studied structures,energies and vibrational spectra of (H2S) 2≤ n ≤ 6 clusters
computationally, will be send elsewhere.
In this study, we will present structure, energy, polarizability and hyperpolarizability properties
of (H2S) 2≤ n ≤ 10 clusters which calculated using B3LYP/cc-pVTZ level of theory.