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Academic Journal

Realistic Modelling of Dynamics at Nanostructured Interfaces Relevant to Heterogeneous Catalysis

Subjects: nanochemistry; heterogeneous catalysis; theoretical chemistry

  • Source: ISSN: 2073-4344 ; Catalysts ; https://hal.science/hal-03526876 ; Catalysts, 2022, Reactivity and Structural Dynamics of Transition-Metal Nano-Catalysts, 12 (1), pp.52.

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Academic Journal

Water-silanol interactions on the amorphous silica surface: A dispersion-corrected DFT investigation

Subjects: [CHIM]Chemical Sciences

  • Source: ISSN: 0167-7322 ; Journal of Molecular Liquids ; https://hal.science/hal-03493472 ; Journal of Molecular Liquids, 2020, 320, pp.114496 -. ⟨10.1016/j.molliq.2020.114496⟩.

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