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Theoretical study using density functional theory of defects in amorphous silicon dioxide

✍ Scribed by A. Courtot-Descharles; P. Paillet; J.L. Leray

Book ID
117149535
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
180 KB
Volume
245
Category
Article
ISSN
0022-3093

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The AICO molecule has been experimentally characterized as a strong complex with a large red-shift of the Vco stretching mode. Post Hartree-Fock ab initio methods including the treatment of correlation effects have predicted this molecule to be a weakly bound van der Waals complex, and were not able