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408 documents
- Philippe Depondt, Simon Huppert, Fabio Finocchi. The quantum taste of hydrogen. EPJ Web of Conferences, 2022, 263, pp.01014. ⟨10.1051/epjconf/202226301014⟩. ⟨hal-03872302⟩
- Federica Angiolari, Simon Huppert, Riccardo Spezia. Quantum versus classical unimolecular fragmentation rate constants and activation energies at finite temperature from direct dynamics simulations. Physical Chemistry Chemical Physics, 2022, 24, pp.29357 - 29370. ⟨10.1039/d2cp03809a⟩. ⟨hal-03940836⟩
- C. Noguera, J. Goniakowski. Mixing properties of Al 2 O 3 (0001)-supported M 2 O 3 and MM′O 3 monolayers (M, M′ = Ti, V, Cr, Fe). Journal of Physics: Condensed Matter, 2021, 34 (3), pp.034002. ⟨10.1088/1361-648X/ac2c3d⟩. ⟨hal-03477942⟩
- Fabio Finocchi, Erika Fallacara, Philippe Depondt, Simon Huppert, Michele Ceotto. Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals. Journal of Physical Chemistry C, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩. ⟨hal-03418844⟩
- Alexander Gloystein, Niklas Nilius, Claudine Noguera, Jacek Goniakowski. Termination-dependent electronic structure and atomic-scale screening behavior of the Cu 2 O(111) surface. Journal of Physics: Condensed Matter, 2021, 33 (48), pp.484001. ⟨10.1088/1361-648X/ac2534⟩. ⟨hal-03364969⟩
- Julien Proust, Pierre-Michel Adam, Redha Abdeddaim, Anne-Laure Baudrion, Jérémie Béal, et al.. Large scale fabrication of silicon Mie nanoresonators: an alternative to gold?. International Conference on Metamaterials, Photonic Crystals and Plasmonics META 2021, Jul 2021, Warsaw, Poland. pp.116-117. ⟨hal-04229334⟩
- Lune Maillard, Martino Trassinelli, Fabio Finocchi. Clustering methods for exploration of potential energy surfaces. Book of Abstracts 40th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering, Jul 2021, Graz, Austria. ⟨hal-03419057⟩
- Luis Zaragoza Gonzalez-Miret, Fabio Finocchi, Martino Trassinelli. Bayesian-assisted strategies to Landau-like effective Hamiltonians. Book of Abstracts 40th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering, Jul 2021, Graz, Austria. ⟨hal-03419045⟩
- Maya Messaykeh, Stéphane Chenot, Pascal David, Gregory Cabailh, Jacques Jupille, et al.. Core level shifts as indicators of Cr chemistry on hydroxylated α-Al2O3(0001): a combined photoemission and first-principles study†. Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP03224K⟩. ⟨hal-03359564⟩
- Maya Messaykeh, Stéphane Chenot, Pascal David, Gregory Cabailh, Jacques Jupille, et al.. An In Situ and Real Time Plasmonic Approach of Seed/Adhesion Layers: Chromium Buer Eect at the Zinc/Alumina Interface. Crystal Growth & Design, 2021, 21 (6), pp.3528-3539. ⟨10.1021/acs.cgd.1c00299⟩. ⟨hal-03274561⟩
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