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Controlled and Chemoselective Hydrogenation of Nitrobenzene over Ru@C60 Catalysts
Faqiang Leng
,
I.C. Gerber
,
Pierre Lecante
,
Simona Moldovan
,
Maria Girleanu
,
et al.
Article dans une revue
hal-01766217v1
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Theoretical study of graphene doping mechanism by iodine molecules
Damien Tristant
,
Pascal Puech
,
I.C. Gerber
Article dans une revue
hal-01756984v1
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“Cocktail”-type catalysis on bimetallic systems for cinnamaldehyde selective hydrogenation: Role of isolated single atoms, nanoparticles and single atom alloys
Jérémy Audevard
,
Javier Navarro-Ruiz
,
Vincent Bernardin
,
Régis Philippe
,
Anna Corrias
,
et al.
Article dans une revue
hal-04139552v1
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Progress on Diamane and Diamanoid Thin Film Pressureless Synthesis
Fabrice Piazza
,
Marc Monthioux
,
Pascal Puech
,
Iann C Gerber
,
Kathleen Gough
Article dans une revue
hal-03431201v1
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Band gap modulation of bilayer graphene by single and dual molecular doping: A van der Waals density-functional study
Tao Hu
,
I.C. Gerber
Article dans une revue
hal-01969523v1
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Ligand Effects on the Selective Hydrogenation of Nitrobenzene to Cyclohexylamine Using Ruthenium Nanoparticles as Catalysts
M. Rosa Axet
,
Salvador Conejero
,
I.C. Gerber
Article dans une revue
hal-02325759v1
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Nanocatalysts for High Selectivity Enyne Cyclization: Oxidative Surface Reorganization of Gold Sub-2-nm Nanoparticle Networks
Houssein Nasrallah
,
Yuanyuan Min
,
Emmanuel Lerayer
,
Tuan-Anh Nguyen
,
Didier Poinsot
,
et al.
Article dans une revue
hal-03129914v1
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Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles
Iker Del rosal
,
Maxime Mercy
,
I.C. Gerber
,
Romuald Poteau
Article dans une revue
hal-02366322v1
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Low temperature, pressureless sp2 to sp3 transformation of ultrathin, crystalline carbon films
Fabrice Piazza
,
Kathleen Gough
,
Marc Monthioux
,
Pascal Puech
,
I.C. Gerber
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et al.
Article dans une revue
hal-02080627v1
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Theoretical investigations of the anisotropic optical properties of distorted 1 T ReS 2 and ReSe 2 monolayers, bilayers, and in the bulk limit
J. Echeverry
,
I.C. Gerber
Article dans une revue
hal-01868505v1
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Screened hybrid density functionals applied to solids
J. Paier
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M. Marsman
,
K. Hummer
,
G. Kresse
,
I.C. Gerber
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et al.
Journal of Chemical Physics, 2006, 214, pp.154709
Article dans une revue
hal-00204683v1
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Spherical harmonic expansion of short-range screened Coulomb interactions
J.G. Ángyán
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I.C. Gerber
,
M. Marsman
Journal of Physics A General Physics (1968-1972), 2006, 39, pp.8613-8630
Article dans une revue
hal-00204685v1
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Van der Waals forces in density-functional theory: Perturbational long-range electron-interaction corrections
J.G. Ángyán
,
I.C. Gerber
,
A. Savin
,
J. Toulouse
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2005, 72, pp.012510
Article dans une revue
hal-00089572v1
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Dependence of band structure and exciton properties of encapsulated WSe 2 monolayers on the hBN-layer thickness
I.C. Gerber
,
Xavier Marie
Article dans une revue
hal-01999602v1
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van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections
János G. Angyán
,
I.C. Gerber
,
Andreas Savin
,
Julien Toulouse
Article dans une revue
hal-00981837v1
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Hexakis [60]Fullerene Adduct-Mediated Covalent Assembly of Ruthenium Nanoparticles and Their Catalytic Properties
Faqiang Leng
,
I.C. Gerber
,
Pierre Lecante
,
A. Bentaleb
,
A. Muñoz
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et al.
Article dans une revue
hal-01617280v1
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Deactivation of Pd/C catalysts by irreversible loss of hydrogen spillover ability of the carbon support
Laurent Vanoye
,
Boris Guicheret
,
Camila Rivera-Cárcamo
,
Jérémy Audevard
,
Javier Navarro-Ruiz
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et al.
Article dans une revue
hal-04113228v1
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Giant Enhancement of the Optical Second-Harmonic Emission of WSe 2 Monolayers by Laser Excitation at Exciton Resonances
Gang Wang
,
Xavier Marie
,
I.C. Gerber
,
Thierry Amand
,
Delphine Lagarde
,
et al.
Article dans une revue
hal-01968758v1
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Splitting between bright and dark excitons in transition metal dichalcogenide monolayers
J. P. Echeverry
,
B. Urbaszek
,
Thierry Amand
,
Xavier Marie
,
I.C. Gerber
Article dans une revue
hal-01868569v1
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Chemoselective reduction of quinoline over Rh-C 60 nanocatalysts
Zhishan Luo
,
Yuanyuan Min
,
Wolfgang Bacsa
,
Divya Nechiyil
,
Yann Tison
,
et al.
Article dans une revue
hal-02345433v1
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Resolving the Framework Position of Organic Structure-Directing Agents in Hierarchical Zeolites via Polarized Stimulated Raman Scattering
Guillaume Fleury
,
Julian Steele
,
I.C. Gerber
,
Franck Jolibois
,
Pascal Puech
,
et al.
Article dans une revue
hal-01868390v1
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Spin-orbit engineering in transition metal dichalcogenide alloy monolayers
Gang Wang
,
Cédric Robert
,
Aslihan Suslu
,
Bin Chen
,
Sijie Yang
,
et al.
Article dans une revue
hal-01871720v1
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Hybrid functional with separated range
I.C. Gerber
,
J.G. Ángyán
Chemical Physics Letters, 2005, 415, pp.100-105
Article dans une revue
hal-00089571v1
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London dispersion forces by range separated hybrid density functional with second order perturbational corrections (RSH+MP2): the case of rare gas complexes
I.C. Gerber
,
J.G. Ángyán
Journal of Chemical Physics, 2007, 126, pp.044103
Article dans une revue
hal-00207473v1
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Quasi van der Waals Epitaxy of Rhombohedral-Stacked Bilayer WSe2 on GaP(111) Heterostructure
Aymen Mahmoudi
,
Meryem Bouaziz
,
Niels Chapuis
,
Geoffroy Kremer
,
Julien Chaste
,
et al.
Article dans une revue
hal-04302601v1
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Exciton states in monolayer MoSe 2 : impact on interband transitions
Gang Wang
,
I.C. Gerber
,
Louis Bouet
,
David Lagarde
,
Andrea Balocchi
,
et al.
Article dans une revue
hal-01968785v1
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Adjustment of the Single Atom/Nanoparticle Ratio in Pd/CNT Catalysts for Phenylacetylene Selective Hydrogenation
Jérémy Audevard
,
Javier Navarro-Ruiz
,
Vincent Bernardin
,
Yann Tison
,
Anna Corrias
,
et al.
Article dans une revue
hal-04102599v1
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DFT description of van der Waals forces with explicit long-range interactions
J.G. Ángyán
,
I.C. Gerber
,
A. Savin
,
J. Toulouse
2005
Autre publication scientifique
hal-00089736v1
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Théorie de perturbation DFT : formalisme générale et applications
J.G. Ángyán
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I.C. Gerber
2005
Autre publication scientifique
hal-00089744v1
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New insights on doping effect of (single-, double-wall-) carbon nanotubes by iodine
Chunyang Nie
,
Zubair Ahmed
,
Damien Tristant
,
Pascal Puech
,
Tsentalovich Dmitri E.
,
et al.
HeteroNanoCarb-2017, Dec 2017, Benasque, Spain
Communication dans un congrès
hal-02123333v1
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