HITeQ: A new workflow-based computing environment for streamlining discovery. Application in materials science

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“From microscopic insights of H2 adsorption to uptake estimations in MOFs”

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«Photoresponsive Covalently-Functionalized Short Single Wall Carbon Nanotubes»

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«Molecular simulation and adsorption studies of n-hexane in ZSM-11 zeolites»

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«Synthesis of azobenzenes: The coloured pieces of molecular materials»

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«Enhancement of the catalytic activity of supported gold nanoparticles for the fenton reaction by light»

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«Dye-sensitized solar cells made of titania nanoparticles structured into a mesoporous material»

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«Reflux method as a novel route for the synthesis of MoVTeNbOx catalysts for selective oxidation of propane to acrylic acid»

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«Ammonia IRMS-TPD measurements on Brønsted acidity of proton-formed SAPO-34»

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«Mechanism of selective alcohol oxidation to aldehydes on gold catalysts: Influence of surface roughness on reactivity»

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