Computational data for paper "Design of a highly active Pd Catalyst with P,N Hemilabile Ligands for alkoxycarbonylation of alkynes and allenes: a density functional theory study
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A theoretical DFT study of the mechanism of the butadiene carbonylation catalyzed by Pd(II) complexe...
This is the final peer-reviewed manuscript accepted for publication in Physical Chemistry Chemical P...
In palladium-catalysed methoxycarbonylation of technical propyne, the presence of propadiene poisons...
In palladium-catalysed methoxycarbonylation of technical propyne, the presence of propadiene poisons...
A detailed mechanism for alkyne alkoxycarbonylation mediated by a palladium catalyst has been charac...
The authors thank the School of Chemistry and EaStCHEM for support.A detailed mechanism for alkyne a...
A revised in situ base mechanism of alkyne alkoxycarbonylation via a Pd catalyst with hemilabile P,N...
This perspective highlights the computational modelling of alkene and alkyne alkoxycarbonylation at ...
The work was supported by the School of Chemistry and EaStCHEM.This perspective highlights the compu...
none5noA comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarb...
A theoretical DFT study of the mechanism of the butadiene carbonylation catalyzed by Pd(II) complexe...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A theoretical DFT study of the mechanism of the butadiene carbonylation catalyzed by Pd(II) complexe...
This is the final peer-reviewed manuscript accepted for publication in Physical Chemistry Chemical P...
In palladium-catalysed methoxycarbonylation of technical propyne, the presence of propadiene poisons...
In palladium-catalysed methoxycarbonylation of technical propyne, the presence of propadiene poisons...
A detailed mechanism for alkyne alkoxycarbonylation mediated by a palladium catalyst has been charac...
The authors thank the School of Chemistry and EaStCHEM for support.A detailed mechanism for alkyne a...
A revised in situ base mechanism of alkyne alkoxycarbonylation via a Pd catalyst with hemilabile P,N...
This perspective highlights the computational modelling of alkene and alkyne alkoxycarbonylation at ...
The work was supported by the School of Chemistry and EaStCHEM.This perspective highlights the compu...
none5noA comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarb...
A theoretical DFT study of the mechanism of the butadiene carbonylation catalyzed by Pd(II) complexe...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A comprehensive density functional theory analysis is reported for the one-pot bis-alkoxycarbonylati...
A theoretical DFT study of the mechanism of the butadiene carbonylation catalyzed by Pd(II) complexe...
This is the final peer-reviewed manuscript accepted for publication in Physical Chemistry Chemical P...
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