Authors
Lukasz Cwiklik, Udo Buck, Waldemar Kulig, Piotr Kubisiak, Pavel Jungwirth
Publication date
2008/4/21
Journal
The Journal of chemical physics
Volume
128
Issue
15
Publisher
AIP Publishing
Description
Ab initio molecular dynamics simulations modeling low-energy collisions of a sodium atom with a cluster with more than 30 water molecules are presented. We follow the dynamics of the atom-cluster interaction and the delocalization of the valence electron of sodium together with the changes in the electron binding energy. This electron tends to be shared by the nascent sodium cation and the water cluster. IR spectra of the sodium-water cluster are both computationally and experimentally obtained, with a good agreement between the two approaches.
Total citations
Scholar articles
L Cwiklik, U Buck, W Kulig, P Kubisiak, P Jungwirth - The Journal of chemical physics, 2008