Pierre-Adrien Payard (P-A Payard)

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 14

Top Topics

Reduced Graphene Oxide

Magnetic Nanoparticles

High Temperature

Molecular Dynamics

Top Venues

Chemical science

Journal of the American Chemical Society

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Aurore E F Denjean, Jordan Rio, Ilaria Ciofini, Marie-Eve L Perrin, Pierre-Adrien Payard
Computed versus experimental energy barriers in solution: Influence of the type of the density functional approximation. Journal of computational chemistry (2024)
Aurore E F Denjean, Jordan Rio, Ilaria Ciofini, Marie-Eve L Perrin, Pierre-Adrien Payard
Computed versus experimental energy barriers in solution: Influence of the type of the density functional approximation. Journal of computational chemistry 45 (27) (2024)
Julian F Baumgärtner, Andreas Müller, Scott R Docherty, Aleix Comas-Vives, Pierre-Adrien Payard, Christophe Copéret
Metadynamics simulations reveal alloying-dealloying processes for bimetallic PdGa nanoparticles under CO 2 hydrogenation. Chemical science 15 (13) (2024)
Julian F Baumgärtner, Andreas Müller, Scott R Docherty, Aleix Comas-Vives, Pierre-Adrien Payard, Christophe Copéret
Metadynamics simulations reveal alloying-dealloying processes for bimetallic PdGa nanoparticles under CO 2 hydrogenation. Chemical science 15 (13) (2024)
Seraphine B X Y Zhang, Quentin Pessemesse, Lukas Lätsch, Konstantin M Engel, Wendelin Jan Stark, Alexander P van Bavel, Andrew D Horton, Pierre-Adrien Payard, Christophe Copéret
Role and dynamics of transition metal carbides in methane coupling. Chemical science 14 (22) (2023)
Anna Giorgia Nobile, David Trummer, Zachariah J Berkson, Michael Wörle, Christophe Copéret, Pierre-Adrien Payard
Assigning 1 H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst. Chemical science 14 (9) (2023)
Haosheng Liang, Andryj M Borys, Eva Hevia, Marie-Eve L Perrin, Pierre-Adrien Payard
Shedding Light on the Hidden Roles of Lithium in the Nickel-Catalyzed Cross-Coupling of Aryl Ethers. Journal of the American Chemical Society (2023)
Lukas Rochlitz, Jörg W A Fischer, Quentin Pessemesse, Adam H Clark, Anton Ashuiev, Daniel Klose, Pierre-Adrien Payard, Gunnar Jeschke, Christophe Copéret
Ti-Doping in Silica-Supported PtZn Propane Dehydrogenation Catalysts: From Improved Stability to the Nature of the Pt-Ti Interaction. JACS Au 3 (7) (2023)
Anna Giorgia Nobile, David Trummer, Zachariah J Berkson, Michael Wörle, Christophe Copéret, Pierre-Adrien Payard
Assigning 1 H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst. Chemical science 14 (9) (2023)
Lukas Rochlitz, Quentin Pessemesse, Jörg W A Fischer, Daniel Klose, Adam H Clark, Milivoj Plodinec, Gunnar Jeschke, Pierre-Adrien Payard, Christophe Copéret
A Robust and Efficient Propane Dehydrogenation Catalyst from Unexpectedly Segregated Pt 2 Mn Nanoparticles. Journal of the American Chemical Society 144 (29) (2022)
Aude Salamé, Jordan Rio, Ilaria Ciofini, Lionel Perrin, Laurence Grimaud, Pierre-Adrien Payard
Copper-Catalyzed Homocoupling of Boronic Acids: A Focus on B-to-Cu and Cu-to-Cu Transmetalations. Molecules (Basel, Switzerland) 27 (21) (2022)
Haosheng Liang, Jordan Rio, Marie-Eve L Perrin, Pierre-Adrien Payard
Salt-Enhanced Oxidative Addition of Iodobenzene to Pd: An Interplay Between Cation, Anion, and Pd-Pd Cooperative Effects. Inorganic chemistry 61 (20) (2022)
David Trummer, Anna Giorgia Nobile, Pierre-Adrien Payard, Anton Ashuiev, Yuya Kakiuchi, Daniel Klose, Gunnar Jeschke, Christophe Copéret
Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs. Chemical science 13 (37) (2022)
Pierre-Adrien Payard, L Rochlitz, K Searles, L Foppa, B Leuthold, Olga V Safonova, Aleix Comas-Vives, Christophe Copéret
Dynamics and Site Isolation: Keys to High Propane Dehydrogenation Performance of Silica-Supported PtGa Nanoparticles. JACS Au 1 (9) (2021)