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Some aspects of the control of selectivity in catalytic oxidation on mixed oxides:a review

✍ Scribed by G. Centi; F. Trifiro

Book ID
119508818
Publisher
Elsevier Science
Year
1984
Weight
987 KB
Volume
12
Category
Article
ISSN
0166-9834

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An ab initio MO study of some aspects of
An ab initio MO study of some aspects of the selective catalytic oxidation of propene to acrolein
✍ R. Gonzalez-Luque; I. Nebot-Gil; F. Tomas πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 450 KB

An ab initio double-zeta MO study of the electronic properties and geometries of all the possible intermediates of the selective catalytic oxidation of propene has been carried out. The reaction mechanism seems easier to understand if twist and pyramidalization of an allyl terminal C-C bond and prot