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Spectroscopic and ab initio study of the interaction of molecular hydrogen with the isolated silica hydroxyls and related systems

✍ Scribed by Garrone, E.; Kazanskii, V. B.; Kustov, L. M.; Sauer, J.; Senchenya, I. N.; Ugliengo, P.


Book ID
127108117
Publisher
American Chemical Society
Year
1992
Tongue
English
Weight
803 KB
Volume
96
Category
Article
ISSN
0022-3654

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Using the proposed gas-phase structures of the dimer of carbon monoxide as guides, ab initio molecular orbital calculations have been carried out on this species in order to determine its probable structure in cryogenic matrices, and the vibrational spectrum of that preferred structure. The Fourier