Add to ORKGDuring a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle intermediate, the cis insertion of the olefin can occur from two different directions, namely side and bottom with respect to the phosphine or N-heterocyclic ligand (NHC), depending on the first or second generation Grubbs catalyst. Here, DFT calculations unravel to which extent the bottom coordination of olefins with respect is favored over the side coordination through screening a wide range of catalysts, including first and second generation Grubbs catalysts as well as the subsequent Hoveyda derivatives. The equilibrium between bottom and side coordination is influenced by sterics, electronics, and polarity of the solvent. The side attack i...
Interest in olefin metathesis has increased over the years with the development of ruthenium-based c...
Schoeller W, Schroeder D, Rozhenko AB. On the ligand properties of the P- versus the N-heterocyclic ...
Using density functional theory with the B3LYP and M06 functionals, we show conclusively that the (H...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
Density functional theory calculations were used to predict the behaviour of a potential novel archi...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
The reaction mechanism of olefin metathesis by ruthenium carbene catalysts is studied by gradient-co...
Density functional theory calculations (DFT) have been used to describe the first turnover for olef...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
Interest in olefin metathesis has increased over the years with the development of ruthenium-based c...
Schoeller W, Schroeder D, Rozhenko AB. On the ligand properties of the P- versus the N-heterocyclic ...
Using density functional theory with the B3LYP and M06 functionals, we show conclusively that the (H...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
During a Ru-catalyzed reaction of an olefin with an alkylidene moiety that leads to a metallacycle i...
Density functional theory calculations were used to predict the behaviour of a potential novel archi...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
The reaction mechanism of olefin metathesis by ruthenium carbene catalysts is studied by gradient-co...
Density functional theory calculations (DFT) have been used to describe the first turnover for olef...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
Interest in olefin metathesis has increased over the years with the development of ruthenium-based c...
Schoeller W, Schroeder D, Rozhenko AB. On the ligand properties of the P- versus the N-heterocyclic ...
Using density functional theory with the B3LYP and M06 functionals, we show conclusively that the (H...