Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

5-2005

Journal or Book Title

Journal of Physical Chemistry A

Volume

109

Issue

24

First Page

5424

Last Page

5429

DOI

10.1021/jp040731b

Abstract

In an attempt to explore the mechanism for the synthesis of silsesquioxanes (POSS), the entire reaction processes from HSi(OH)3 to T8, one of the most common and stable POSS was investigated with electronic structure theory calculations, including electron correlation effects. In addition, the effect of some controlling factors, which play important roles in the reaction mechanism, is discussed.

Comments

Reprinted (adapted) with permission from Journal of Physical Chemistry A 109 (2005): 5424, doi:10.1021/jp040731b. Copyright 2005 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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