Abstract
There have been several theoretical studies on the olefin metathesis reaction and the structures of homogeneous catalysts [1-5]. However, we have not found examples of theoretical modelling of olefin metathesis active sites on heterogeneous catalysts. In the case of the heterogeneous molybdena catalysts, the active centres contain probably MoVI [6,7], but other Mo valences are also possible (e.g., MoIV [8]).
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Handzlik, J., Ogonowski, J. (2002). DFT Study on Ethene Metathesis Proceeding on MoO3/Al2O3 Catalyst. In: Khosravi, E., Szymanska-Buzar, T. (eds) Ring Opening Metathesis Polymerisation and Related Chemistry. NATO Science Series, vol 56. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-0373-5_41
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DOI: https://doi.org/10.1007/978-94-010-0373-5_41
Publisher Name: Springer, Dordrecht
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