Configurational study of amino-functionalized silica surfaces: A density functional theory modeling

Title
Configurational study of amino-functionalized silica surfaces: A density functional theory modeling
Authors
Keywords
Amino-functionalized silica, APTES, Hydrolyzed forms, DFT, NBO, AIM
Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 59, Issue -, Pages 21-30
Publisher
Elsevier BV
Online
2015-04-06
DOI
10.1016/j.jmgm.2015.03.006

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