Browsing by Subject "Grubbs 1"
Now showing items 1-2 of 2
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DFT investigation of the 1-octene metathesis reaction mechanism with the Phobcat precatalyst
(Springer, 2009)The productive self-metathesis reaction of 1-octene in the presence of the Phobcat precatalyst [RuCl2(Phoban-Cy)2(=CHPh)] using density functional theory was investigated and compared to the Grubbs 1 precatalyst ... -
Experimental and DFT investigation of the 1-octene metathesis reaction mechanism with the Grubbs 1 precatalyst
(Elsevier, 2006)Using density functional theory the metathesis reactions of 1-octene in the presence of Grubbs 1 [RuCl2(PCy3)2( CHPh)] is investigated. At the GGA-PW91/DNP level, the complete geometry optimization and the activation ...