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Publications associées (47)
Influence of aerosol acidity and organic ligands on transition metal solubility and oxidative potential of fine particulate matter in urban environments
Athanasios Nenes, Gerhard Lammel
The adverse health effects of air pollution around the world have been associated with the inhalation of fine particulate matter (PM2.5). Such outcomes are thought to be related to the induction of oxidative stress due to the excess formation of reactive o ...
Amsterdam2023Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules
Exposing a molecule to an intense light pulse can create a nonstationary quantum state, thus launching correlated dynamics of electrons and nuclei. Although much had been achieved in the understanding of fundamental physics behind the electron-nuclear inte ...
SWISS CHEMICAL SOC2022Modeling non-covalent interactions in condensed phase
The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...
EPFL2022Kinetics of the reaction between hydrogen peroxide and aqueous iodine: Implications for technical and natural aquatic systems
Urs von Gunten, Yun Ho Lee, Jaedon Shin
Oxidative treatment of iodide-containing waters can lead to a formation of potentially toxic iodinated disinfection byproducts (I-DBPs). Iodide (I-) is easily oxidized to HOI by various oxidation processes and its reaction with dissolved organic matter (DO ...
2020