Effect of hydration on the stability of fullerene-like silica molecules View Full Text


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Article Info

DATE

2011-04-08

AUTHORS

O. V. Filonenko, V. V. Lobanov

ABSTRACT

The hydration of fullerene-like silica molecules was studied by the density functional method (exchange-correlation functional B3LYP, basis set 6-31G**). It was demonstrated that completely coordinated structures transform to more stable hydroxylated ones during hydrolysis. These in turn react with H2O molecules with the formation of hydrogen bonds.

PAGES

841

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s0036024411050128

DOI

http://dx.doi.org/10.1134/s0036024411050128

DIMENSIONS

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