ListarINVESTIGACIÓN por tema "MOLECULAR-ORBITAL METHODS"
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Highly modulated supported triazolium-based ionic liquids: direct control of the electronic environment on Cu nanoparticles
(Royal Society of Chemistry, 2020-03-01)A series of new triazolium-based supported ionic liquids (SILPs), decorated with Cu NPs, were successfully prepared and applied to the N-arylation of aryl halides with anilines. The triazoles moieties were functionalised ... -
Interaction of supported ionic liquids phases onto copper nanoparticles: A DFT study
(Elsevier, 2020-07-15)The interaction between Supported Ionic Liquids Phases (SILPs) based on triazole and copper nanoparticles was investigated using density functional theory calculations. Three triazolium cations (T1(+), T2(+), and T3(+)) ...