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SYMPOSIUM
MINISYMPOSIA
December 4-5, 1998
University of Southern Mississippi
Hattiesburg, Mississippi
Interaction of NO molecules with highly dispersed titanium oxides incorporated into Silicalite and Zeolites. Theoretical ab initio Study
Nurbosyn U. Zhanpeisov and Masakazu Anpo
In this paper we have reported the results of ab initio quantum chemical calculations at the Hartree-Fock level for interactions of one and two NO molecules with highly dispersed titanium oxide species incorporated into silicalite (Ti-silicalite) and zeolite (Ti-zeolite) cavities. To find the similarities and differences in the adsorption mechanism, additional calculations have also been carried out on the adsorption of these and other small molecules on pure silica, alumina-silica and titania as a rutile.
To obtain more information about the meeting send e-mail to: fscc98@pax.st.usm.edu.
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