Ab Initio Molecular Dynamics Simulation of a Medium-Sized...

Journal of Physical Chemistry A 2008 / 07 Vol. 112; Iss. 27

Ab Initio Molecular Dynamics Simulation of a Medium-Sized Water Cluster Anion: From an Interior to a Surface-Located Excess Electron via a Delocalized State

Frigato, Tomaso, VandeVondele, Joost, Schmidt, Burkhard, Schütte, Christof, Jungwirth, Pavel
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Volume:
112
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp711545s
Date:
July, 2008
File:
PDF, 1.77 MB
english, 2008
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