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408 documents
- Falko Netzer, Claudine Noguera. Oxide Thin Films and Nanostructures. Oxford University Press, 1, 2021, 978–0–19–883461–8. ⟨10.1093/oso/9780198834618.001.0001⟩. ⟨hal-03969128⟩
- Jingfeng Li, Stéphane Chenot, Jacques Jupille, Remi Lazzari. Point Defects and Related Excess Electrons in the Dielectric Prole of the Reduced TiO 2 (110) Surface. Journal of Physical Chemistry C, 2021, 125 (30), pp.16652-16663. ⟨10.1021/acs.jpcc.1c01796⟩. ⟨hal-03370035⟩
- Thomas Plé, Simon Huppert, Fabio Finocchi, Philippe Depondt, Sara Bonella. Anharmonic spectral features via trajectory-based quantum dynamics: a perturbative analysis of the interplay between dynamics and sampling. Journal of Chemical Physics, 2021, 155 (10), pp.104108. ⟨10.1063/5.0056824⟩. ⟨hal-03356141⟩
- Ke Zhang, Linfei Li, Jacek Goniakowski, Claudine Noguera, Hans-Joachim Freund, et al.. Size effect in two-dimensional oxide-on-metal catalysts of CO oxidation and its connection to oxygen bonding: An experimental and theoretical approach. Journal of Catalysis, 2021, 393, pp.100-106. ⟨10.1016/j.jcat.2020.11.022⟩. ⟨hal-03223778⟩
- Francia Haque, Fabio Finocchi, Stéphane Chenot, Jacques Jupille, Slavica Stankic. Site-specific hydrogen reactivity of Zn0.05Mg0.95O nanopowders. Journal of Physical Chemistry C, In press, 125 (46), pp.25841-25850. ⟨hal-03412053⟩
- Maxime van den Bossche, Jacek Goniakowski, Claudine Noguera. Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization. Nanoscale, 2021, 13 (46), pp.19500-19510. ⟨10.1039/d1nr05705g⟩. ⟨hal-03467087⟩
- Nastasia Mauger, Thomas Plé, Louis Lagardère, Sara Bonella, Etienne Mangaud, et al.. Nuclear Quantum Effects in liquid water at near classical computational cost using the adaptive Quantum Thermal Bath. Journal of Physical Chemistry Letters, 2021, 12 (34), pp.8285-829. ⟨10.1021/acs.jpclett.1c01722⟩. ⟨hal-03132347⟩
- Remi Lazzari, Jacques Jupille, Rémi Cavallotti, Ekaterina Chernysheva, Sebastián Castilla, et al.. Plasmonics of Supported Nanoparticles Reveals Adhesion at the Nanoscale: Implications for Metals on Dielectrics. ACS Applied Nano Materials, 2020, 3 (12), pp.12157-12168. ⟨10.1021/acsanm.0c02656⟩. ⟨hal-03112024⟩
- Thomas Plé. Nuclear Quantum Dynamics: exploration and comparison of trajectory-based methods. Theoretical and/or physical chemistry. Sorbonne Université, 2020. English. ⟨NNT : ⟩. ⟨tel-03385053⟩
- Slavica Stankic. Mémoire d'Habilitation à Diriger des Recherches Sorbonne Université. Chemical Sciences. Sorbone Université, 2020. ⟨tel-03952647⟩
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