Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
This work is addressed to the phenomenon of catalyst deactivation taking place during the repeated uses in the reaction of Suzuki-Miyaura (S-M) cross-coupling, which is widely applied in industry for C-C bond formation. Ligandless catalysts based on Pd(0) ...
Mechanistic investigations into homogeneously catalyzed reactions are essential for the fur-ther development of synthetic methodologies. Insights in the overall reaction pathway and vital steps such as the rate-determining and selectivity-determining steps ...
The speed and precision of machine-learning (ML) techniques in determining quantum chemical properties has resulted in a considerable computational speed up in comparison to traditional quantum chemical methods, and now allows a desired property of thousan ...
CONSPECTUS: Ligand development plays an essential role in the advance of homogeneous catalysis. Tridentate, meridionally coordinating ligands, commonly termed pincer ligands, have been established as a privileged class of ligands in catalysis because they ...
This paper describes synthesis of Pd-containing catalysts of Suzuki cross-coupling based on amino-functionalized hyper-cross-linked polystyrene at variation of Pd precursor nature (PdCl2, PdCl2(CH3CN)(2), or PdCl2(PhCN)(2)). The investigation of the influe ...
A new procedure for the synthesis of highly substituted 1,3-diaminopyrazoles is described. As substrates, we have employed 1-alkynyltriazenes and imines. The formation of pyrazoles was achieved by two-fold C–N coupling reactions in the presence of (JohnPho ...
The synthesis of catalytically active bimetallic Au-Pd nanoparticles stabilized in hyper-cross-linked polystyrene (HPS) for Suzuki cross-coupling of 4-bromoanisole (4-BrAn) and phenylboronic acid is presented. The core-shell structure with a thin (less tha ...
This paper describes the synthesis of Pd-containing catalysts based on nonfunctionalized hypercrosslinked polystyrene via impregnation with Pd acetate. Developed Pd nanoparticulate catalyst allowed achieving conversion of aryl halide up to 90% in Suzuki cr ...
2019
,
Molecular volcano plots, a tool generally used to identify ideal catalysts for a given chemical transformation, are employed in an alternative fashion to examine the substrate scope by revealing the range of substrates that can be accommodated by a single ...
AMER CHEMICAL SOC2020
, , ,
The application of modern machine learning to challenges in atomistic simulation is gaining attraction. We present new machine learning models that can predict the energy of the oxidative addition process between a transition metal complex and a substrate ...