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Lucía Pérez Ramírez, Jean-Jacques Gallet, Fabrice Bournel, Florence Lim, Stéphane Carniato, et al.. Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy. Journal of Physical Chemistry A, 2020, 124 (26), pp.5378-5388. ⟨10.1021/acs.jpca.0c03458⟩. ⟨hal-03921201⟩
Lucía Pérez Ramírez, Niklas Fornefeld, Fabrice Bournel, Stefan Kubsky, Elena Magnano, et al.. Trimethylamine Probes Isolated Silicon Dangling Bonds and Surface Hydroxyls of (H,OH)-Si(001). Journal of Physical Chemistry C, 2022, 126 (5), pp.2548-2560. ⟨10.1021/acs.jpcc.1c09776⟩. ⟨hal-03921179⟩
Aurélien Bailly. Étude des mécanismes de deux couplages palladocatalysés. Chimie théorique et/ou physique. Université Paris sciences et lettres, 2021. Français. ⟨NNT : 2021UPSLE044⟩. ⟨tel-03966110⟩
Heiva Le Blay. Use of shear wave imaging to assess the mechanical and fracture behaviors of tough model gels. Material chemistry. Université Paris sciences et lettres, 2021. English. ⟨NNT : 2021UPSLS096⟩. ⟨tel-03962403⟩
Paula Milán Rodríguez. Interaction between amphipathic helices and lipid membranes studied by computer simulations. Application to the LTX-315 anticancer peptide. Biological Physics [physics.bio-ph]. Sorbonne Université, 2022. English. ⟨NNT : 2022SORUS074⟩. ⟨tel-03961474⟩
Decarlos Taylor, János Ángyán, Giulia Galli, Cui Zhang, Francois Gygi, et al.. Blind test of density-functional-based methods on intermolecular interaction energies. Journal of Chemical Physics, 2016, 145 (12), pp.124105. ⟨10.1063/1.4961095⟩. ⟨hal-03958068⟩
Angela Parise, Aurelio Alvarez-Ibarra, Xiaojing Wu, Xiaodong Zhao, Julien Pilmé, et al.. Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics. Journal of Physical Chemistry Letters, 2018, 9 (4), pp.844-850. ⟨10.1021/acs.jpclett.7b03379⟩. ⟨hal-03956855⟩
Khadra Tahri, Tarik Ouahrani, Julien Pilmé. Understanding phase transition in the ZnSiP2 chalcopyrite, a quantum chemical topology study. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2017, 136 (10), pp.119. ⟨10.1007/s00214-017-2159-y⟩. ⟨hal-03956703⟩
Jacqueline Bergès, Dominik Domin, Julien Pilmé, Benoît Braïda, Chantal Houée-Levin. •OH oxidation of methionine in the presence of discrete water molecules: DFT, QTAIM and valence bond analyses. Structural Chemistry, 2020, 31 (2), pp.719-730. ⟨10.1007/s11224-019-01438-2⟩. ⟨hal-03956671⟩
Patrick Chaquin, François Volatron, Franck Fuster. Définir le caractère liant/antiliant d’une orbitale moléculaire : de l’amphi à la recherche. L'Actualité Chimique, 2020, 447, pp.28-37. ⟨hal-03956669⟩

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