31 research outputs found
A theoretical characterization of the interaction of water with oxidized carbonaceous clusters
International audienc
Structure and reactivity of carbon multivacancies in graphene
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Adsorption of atmospheric oxidants at divacancy sites of graphene: A DFT study
International audienc
Interaction of water molecules with defective carbonaceous clusters: an ab initio study
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Etudes expérimentale et théorique ab initio de la réaction des atomes de fluor avec les halogénométhanes de type CHCl3-xFx (x = 0, 1, 2 ou 3)
International audienc
Water adsorption on oxidized single atomic vacancies present at the surface of small carbonaceous nanoparticles modeling soot
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