Development of a multiscale modeling environment for parameterization of ReaxFF using SCC-DFTB and its application to ZnO structures

Bibliographic Details
Main Author: Rafieefar, Ali
Format: Others
Language:English
Published: Uppsala universitet, Teoretisk kemi 2014
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-224229