Assessment of density functional methods for the study of olefin metathesis catalysed by ruthenium alkylidene complexes

Performance of DFT methods in thermochemistry of olefin metathesis involving the model catalyst (PH3)2(Cl)2Ru=CH2 and in reproduction of experimental PCy3 dissociation energy for the Grubbs catalyst (H2IMes)(PCy3)(Cl)2Ru=CHPh is studied.