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Publications associées (243)
Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors
The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...
EPFL2024Synthesis and Reactivity of an Anionic Diazoolefin
Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Bastiaan Kooij, Zhaowen Dong
Bent (hetero)allenes such as carbodicarbenes and carbodiphosphoranes can act as neutral C-donor ligands, and diverse applications in coordination chemistry have been reported. N-Heterocyclic diazoolefins are heterocumulenes, which can function in a similar ...
2023Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics
We present condensed-phase first-principles molecular dynamics simulations to elucidate the presence of different electron trapping sites in liquid methanol and their roles in the formation, electronic transitions, and relaxation of solvated electrons (e(m ...
ROYAL SOC CHEMISTRY2022Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst
Moreno Lelli, Pierrick Berruyer, David Benjamin Roger Antoine Gajan, Zhuoran Wang
The structural characterization of supported molecular catalysts is challenging due to the low density of active sites and the presence of several organic/organometallic surface groups resulting from the often complex surface chemistry associated with supp ...
AMER CHEMICAL SOC2022Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters
In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...
EPFL2022