Thursday, August 08, 2013

An SCC-DFTB Repulsive Potential for Various ZnO Polymorphs and the ZnO–Water System

TOC Graphic


The Journal of Physical Chemistry C

DOI: 10.1021/jp404095x




Matti Hellström, Kjell Jorner, Maria Bryngelsson, Stefan E. Huber, Jolla Kullgren, Thomas Frauenheim and Peter Broqvist

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