Structural, mechanical and electronic properties of nano-fibriform silica and its organic functionalization by dimethyl silane: a SCC-DFTB approach

Title
Structural, mechanical and electronic properties of nano-fibriform silica and its organic functionalization by dimethyl silane: a SCC-DFTB approach
Authors
Keywords
Nano-fibriform, Organic functionalization, SCC-DFTB, Silica, Tight-binding
Journal
JOURNAL OF MOLECULAR MODELING
Volume 19, Issue 5, Pages 1995-2005
Publisher
Springer Nature
Online
2012-09-17
DOI
10.1007/s00894-012-1583-0

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