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425 documents
- Marco Cazzaniga, Marco Micciarelli, Fabio Gabas, Fabio Finocchi, Michele Ceotto. Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption. Journal of Physical Chemistry C, 2022, pp.12060-12073. ⟨10.1021/acs.jpcc.2c02137⟩. ⟨hal-03872268⟩
- Francesca Corbella. Impact of texture on resistivity of silver-based model low-emissive coatings. Material chemistry. Sorbonne Université, 2022. English. ⟨NNT : 2022SORUS084⟩. ⟨tel-03715376⟩
- Simon Huppert, Thomas Plé, Sara Bonella, Philippe Depondt, Fabio Finocchi. Simulation of Nuclear Quantum Effects in Condensed Matter Systems via Quantum Baths. Applied Sciences, 2022, 12 (9), pp.4756. ⟨10.3390/app12094756⟩. ⟨hal-03872313⟩
- P. Wemhoff, N. Nilius, C. Noguera, Jacek Goniakowski. Two-Dimensional Oxide Alloys Probed at the Atomic Level: (V,Fe)2O3 Honeycomb Monolayers on Pt(111). Journal of Physical Chemistry C, 2022, 126 (10), pp.5070-5078. ⟨10.1021/acs.jpcc.2c00683⟩. ⟨hal-03651912⟩
- Clara Azémard, Marie-Claude Fauré, Slavica Stankic, Stéphane Chenot, Helen Ibrahim, et al.. Influence of Unsaturations on the Organization and Air Reactivity of Triglyceride Monolayers. Langmuir, 2022, 38 (2), pp.711-718. ⟨10.1021/acs.langmuir.1c02613⟩. ⟨hal-03521186⟩
- Shuqiu Wang, Xiao Hu, Jacek Goniakowski, Claudine Noguera, Martin Castell. Epitaxially Constrained Grain Boundary Structures in an Oxide Honeycomb Monolayer. Advanced Materials Interfaces, 2022, 9 (14), pp.2102213. ⟨10.1002/admi.202102213⟩. ⟨hal-03797143⟩
- 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⟩
- Piotr Igor Wemhoff, Claudine Noguera, Jacek Goniakowski, Niklas Nilius. Structure and Stoichiometry Self-Organization in a Mixed Vanadium–Iron Oxide Honeycomb Film on Ru(0001). Journal of Physical Chemistry C, 2022, 126 (46), pp.19947-19955. ⟨10.1021/acs.jpcc.2c06476⟩. ⟨hal-03892411⟩
- 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⟩
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