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Reactivity of single transition metal atoms on a hydroxylated amorphous silica surface : a periodic conceptual DFT investigation
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- Journal Article
- A1
- open access
Dynamic interplay between defective UiO‐66 and protic solvents in activated processes
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N‐heterocyclic carbene non‐innocence in the catalytic hydrophosphination of alkynes
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Mechanistic study of Suzuki-Miyaura cross-coupling reactions of amides mediated by [Pd(NHC)(allyl)Cl] precatalysts
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- Journal Article
- A1
- open access
The pentagonal-pyramidal hexamethylbenzene dication : many shades of coordination chemistry at carbon
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Insights into the catalytic activity of [Pd(NHC)(cin)Cl] (NHC=IPr, IPrCl, IPrBr) complexes in the Suzuki-Miyaura reaction
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Modeling the interaction of carbon monoxide with flexible graphene : from coupled cluster calculations to molecular-dynamics simulations
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- Journal Article
- A1
- open access
Reactivity of 3-oxo-β-lactams with respect to primary amines : an experimental and computational approach
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In silico olefin metathesis with Ru-based catalysts containing N-heterocyclic carbenes bearing C-60 fullerenes
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On the mechanism of the digold(I)-hydroxide-catalysed hydrophenoxylation of alkynes