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Chloramines, bromamines, and bromochloramines are halogen-containing oxidants that arise from the reaction between ammonia and hypohalous acids during the disinfection of drinking and wastewaters. Although involved in the formation of toxic disinfection by ...
Homoleptic acetonitrile complexes [Nd(CH3CN)(9)]Al(OC(CF3)(3))(4), [Dy(CH3CN)(9)]Al(OC(CF3)(3))(4), and [Tm(CH3CN)(8)]Al(OC(CF3)(3))(4) have been studied in anhydrous acetonitrile by 14N and 1H NMR relaxation. Solvent-exchange rate constants ...
This thesis details the synthesis and characterization of dinuclear clathrochelates functionalized with groups suitable for supramolecular applications. Their successful incorporation into self-assembled discrete and polymeric structures is related. These ...
Multimetallic cooperative binding of heteroallenes provides an attractive route to their activation, but the reduction of CS2 at heterobimetallic sites, associating an electron-rich metal with a main group Lewis acid has not been explored. Here we show tha ...
Water exchange kinetics on [Ln(AAZTAPh–NO2)(H2O)q]− (Ln = Gd3+, Dy3+, or Tm3+) were determined by 1H nuclear magnetic resonance (NMR) measurements. The number of inner-sphere water molecules was found to change from two to one when going from Dy3+ to Tm3+. ...
A better understanding of silica dissolution-precipitation reactions at high pH aqueous solutions allows for promotion of favorable (e.g., pozzolanic) reactions and mitigation of deleterious (e.g., alkali-silica) reactions in concrete. In this paper, the k ...
One large gap in research related to hybrid org./inorg. frameworks pertains to the inability to rationally design materials with targeted structural features and hence properties, a problem that stems from a lack of knowledge of their crystn. processes. Li ...
Single-ion magnets (SIMs) are mononuclear molecular complexes exhibiting slow relaxation of magnetization. They are currently attracting a lot of interest because of potential applications in spintronics and quantum information processing. However, exploit ...
The water exchange reactions of PuO2(OH2)(5) and UO2(OH2)(5) were investigated with density functional theory (DFT) and wave function theory (WFT). Geometries and vibrational frequencies were calculated with DFT and CPCM hydration. The electron ...
The water exchange reaction of the americyl(VI) aqua ion was investigated with quantum chemical methods, density functional theory (DFT), and wave function theory (WFT). Associative and dissociative substitution mechanisms were studied, whereby DFT produce ...