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DFT calculations of d<sup>0</sup> M(NR)(CH<sup>t</sup>Bu)(X)(Y) (M = Mo, W; R = CPh<sub>3</sub>, 2,6-<sup>i</sup>Pr-C<sub>6</sub>H<sub>3</sub>; X and Y=CH<sub>2</sub><sup>t</sup>Bu, O<sup>t</sup>Bu, OSi(O<sup>t</sup>Bu)<sub>3</sub>) olefin metathesis catalysts: structural, spectroscopic and electronic properties
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DFT calculations of d0 M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr-C6H3; X and Y=CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties

Albert Poater, Xavier Solans-Monfort, Eric Clot, Christophe Copéret and Odile Eisenstein
Dalton Transactions, pp.3077-3087
2006
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