Add to ORKGConsidering the versatility of oxidation states of rhodium together with the successful background of ruthenium-N-heterocyclic carbene based catalysts in olefin metathesis, it is envisaged the exchange of the ruthenium of the latter catalysts by rhodium, bearing an open-shell neutral rhodium center, or a +1 charged one. In the framework of in silico experiments, density functional theory (DFT) calculations have been used to plot the first catalytic cycle that as a first step includes the release of the phosphine. DFT is, in this case, the tool that allows the discovery of the less endergonic reaction profile from the precatalytic species for the neutral catalyst with respect to the corresponding ruthenium one; increasing the endergonic char...
Density functional theory (DFT) calculations have been used to investigate the behavior of different...
N-phosphino-functionalized N-heterocyclic carbene (NHCP) ligands have been evaluated as potential su...
N-phosphino-functionalized N-heterocyclic carbene (NHCP) ligands have been evaluated as potential su...
Considering the versatility of oxidation states of rhodium together with the successful background o...
Considering the versatility of oxidation states of rhodium together with the successful background o...
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...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
Density functional theory calculations (DFT) have been used to describe the first turnover for olef...
Interest in olefin metathesis has increased over the years with the development of ruthenium-based c...
The reaction mechanism of olefin metathesis by ruthenium carbene catalysts is studied by gradient-co...
Gradient-corrected (BP86) density functional calculations were used to study alternative mechanisms ...
Gradient-corrected (BP86) density functional calculations were used to study alternative mechanisms ...
Gradient-corrected (BP86) density functional calculations were used to study alternative mechanisms ...
Density functional theory (DFT) calculations have been used to investigate the behavior of different...
N-phosphino-functionalized N-heterocyclic carbene (NHCP) ligands have been evaluated as potential su...
N-phosphino-functionalized N-heterocyclic carbene (NHCP) ligands have been evaluated as potential su...
Considering the versatility of oxidation states of rhodium together with the successful background o...
Considering the versatility of oxidation states of rhodium together with the successful background o...
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...
Density functional theory (DFT) calculations have been used to describe the first turnover of an ole...
Density functional theory calculations (DFT) have been used to describe the first turnover for olef...
Interest in olefin metathesis has increased over the years with the development of ruthenium-based c...
The reaction mechanism of olefin metathesis by ruthenium carbene catalysts is studied by gradient-co...
Gradient-corrected (BP86) density functional calculations were used to study alternative mechanisms ...
Gradient-corrected (BP86) density functional calculations were used to study alternative mechanisms ...
Gradient-corrected (BP86) density functional calculations were used to study alternative mechanisms ...
Density functional theory (DFT) calculations have been used to investigate the behavior of different...
N-phosphino-functionalized N-heterocyclic carbene (NHCP) ligands have been evaluated as potential su...
N-phosphino-functionalized N-heterocyclic carbene (NHCP) ligands have been evaluated as potential su...