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Ruthenium nanoparticles canopied by heptagon-containing saddle-shaped nanographenes as efficient aromatic hydrogenation catalysts
Christian Cerezo-Navarrete
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Arthur David
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Adrián García-Zaragoza
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Marcos Codesal
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Pascual Oña-Burgos
Article dans une revue
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Ruthenium icosahedra and ultrathin platelets: the role of surface chemistry on the nanoparticle structure
Raj Kumar Ramamoorthy
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Katerina Soulantica
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Iker Del rosal
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Raul Arenal
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Philippe Decorse
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The Unexpected Helical Supramolecular Assembly of a Simple Achiral Acetamide Tecton Generates Selective Water Channels
Dan Dumitrescu
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Jordi Rull-Barull
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Anthony R. Martin
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Nathalie Masquelez
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Maurizio Polentarutti
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Bimetallic RuNi nanoparticles as catalysts for upgrading biomass
Miquel Cardona-Farreny
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Pierre Lecante
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Jerome Esvan
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Chiara Dinoi
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Iker Del rosal
Article dans une revue
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Recognition of the three-dimensional structure of small metal nanoparticles by a supervised artificial neural network
Timothée Fages
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Franck Jolibois
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Romuald Poteau
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Nanocatalysts for High Selectivity Enyne Cyclization: Oxidative Surface Reorganization of Gold Sub-2-nm Nanoparticle Networks
Houssein Nasrallah
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Yuanyuan Min
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Emmanuel Lerayer
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Tuan-Anh Nguyen
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Didier Poinsot
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Surface reactions of ammonia on ruthenium nanoparticles revealed by 15 N and 13 C solid-state NMR
Niels Rothermel
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Hans-Heinrich Limbach
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Iker del Rosal
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Romuald Poteau
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Gabriel Mencia
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When organophosphorus ruthenium complexes covalently bind to ruthenium nanoparticles to form nanoscale hybrid materials
Elena Martín Morales
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Yannick Coppel
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Pierre Lecante
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Iker Del rosal
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Romuald Poteau
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Catalysis to discriminate single atoms from subnanometric ruthenium particles in ultra-high loading catalysts
Camila Rivera‐cárcamo
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Faqiang Leng
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I.C. Gerber
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Iker Del rosal
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Romuald Poteau
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How Cu I and Na I Interact with Faujasite Zeolite? A Theoretical Investigation
Hugo Petitjean
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Christine Lepetit
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Zalfa Nour
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Romuald Poteau
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Iker Del rosal
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Hydrogen isotope exchange catalyzed by Ru nanocatalysts: labelling of complex molecules containing N-heterocycles and reaction mechanism insights
Viktor Pfeifer
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Marie Certiat
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Donia Bouzouita
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Alberto Palazzolo
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Sébastien Garcia-Argote
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Mo thio and oxo-thio molecular complexes film as self-healing catalyst for photocatalytic hydrogen evolution on 2D materials
Juliana Barros Barbosa
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Pierre-Louis Taberna
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Valérie Bourdon
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I.C. Gerber
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Romuald Poteau
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3D Ruthenium Nanoparticle Covalent Assemblies from Polymantane Ligands for Confined Catalysis
Yuanyuan Min
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Houssein Nasrallah
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Didier Poinsot
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Pierre Lecante
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Yann Tison
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Carboxylic acid-capped ruthenium nanoparticles: experimental and theoretical case study with ethanoic acid
Roberto Gonzalez-Gomez
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Lucy Cusinato
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Christian Bijani
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Yannick Coppel
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Pierre Lecante
Article dans une revue
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DFT calculations in periodic boundary conditions of gas-phase acidities and of transition-metal anionic clusters: case study with carboxylate-stabilized ruthenium clusters
Roberto Gonzalez-Gomez
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Iker Del rosal
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Karine Philippot
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Romuald Poteau
Article dans une revue
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Blue wine, a color obtained with synthetic blue dye addition: two case studies
Chantal Galaup
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L. Auriel
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J. Dubs
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C. Dehoux
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Véronique Gilard
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Ultrathin Gold Nanowires with the Polytetrahedral Structure of Bulk Manganese
Jorge Vargas
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Valeri Petkov
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El Said A. Nouh
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Raj-Kumar Ramamoorthy
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Lise-Marie Lacroix
Article dans une revue
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Simple electron donor molecules based on triphenylamine and carbazole derivatives
Marie Bélières
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Valérie Sartor
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Paul-Louis Fabre
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Romuald Poteau
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Guillaume Bordeau
Article dans une revue
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Ligand-capped Ru nanoparticles as efficient electrocatalyst for the hydrogen evolution reaction
Jordi Creus
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Samuel Drouet
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S. Surinach
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Pierre Lecante
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Vincent Collière
Article dans une revue
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Surprising Differences of Alkane C‐H Activation Catalyzed by Ruthenium Nanoparticles: Complex Surface‐Substrate Recognition?
Niels Rothermel
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Donia Bouzouita
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Tobias Röther
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Torsten Gutmann
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Iker Del rosal
Article dans une revue
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Critical assessment of charge transfer estimates in non-covalent graphene doping
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Article dans une revue
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Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment
Lucy Cusinato
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Iker Del rosal
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Romuald Poteau
Article dans une revue
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Zwitterionic amidinates as effective ligands for platinum nanoparticle hydrogenation catalysts
Luis Miguel Martinez-Pietro
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Israel Cano
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A. Marquez
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Edwin A Baquero
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Simon Tricard
Article dans une revue
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Chemical tuning of Coulomb blockade at room-temperature in ultra-small platinum nanoparticle self-assemblies
Simon Tricard
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Olivier Said-Aizpuru
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Donia Bouzouita
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Suhail Usmani
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Angélique Gillet
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Surface-Engineering of Ultrathin Gold Nanowires: Tailored Self-Assembly and Enhanced Stability
El Said A. Nouh
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Edwin A Baquero
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Lise-Marie Lacroix
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Fabien Delpech
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Romuald Poteau
Article dans une revue
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Theoretical characterization of the surface composition of ruthenium nanoparticles in equilibrium with syngas
Lucy Cusinato
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Luis Miguel Martinez-Pietro
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Bruno Chaudret
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Iker Del rosal
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Romuald Poteau
Nanoscale, 2016, 8 (21), pp.10974-10992
Article dans une revue
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Grafting of lanthanide complexes on silica surfaces dehydroxylated at 200 °C: a theoretical investigation
Iker Del rosal
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I.C. Gerber
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Romuald Poteau
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Laurent Maron
New Journal of Chemistry, 2015, 39 (10), pp.7703-7715
Article dans une revue
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Enantiospecific C-H activation using ruthenium nanocatalysts
Céline Taglang
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Luis Miguel Martinez-Pietro
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Iker Del rosal
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Laurent Maron
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Romuald Poteau
Article dans une revue
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Ultrathin Gold Nanowires: Soft-Templating versus Liquid Phase Synthesis, a Quantitative Study
Anais Loubat
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Lise-Marie Lacroix
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Antoine Robert
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Marianne Imperor-Clerc
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Romuald Poteau
Article dans une revue
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Yttrium Dihydride Cation [YH 2 (THF) 2 ] + n : Aggregate Formation and Reaction with (NNNN)-Type Macrocycles
Stefan Arndt
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Mathias Kramer
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Waldemar Fegler
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Yumiko Nakajima
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Iker Del rosal
Organometallics, 2015, 34 (15), pp.3739-3747
Article dans une revue
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Chimie théorique : les défis d'une filière de formation à faibles effectifs
Romuald Poteau
,
Gilberte Chambaud
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S. Antonczak
L'Actualité Chimique, 2014, Février-Mars 2014 (382-383), pp.8
Article dans une revue
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Surfaces of a Colloidal Iron Nanoparticle in Its Chemical Environment: A DFT Description
Guntram Fischer
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Romuald Poteau
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Sebastien Lachaize
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I.C. Gerber
Langmuir, 2014, 30 (39), pp.11670-11680
Article dans une revue
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Tin-decorated ruthenium nanoparticles: a way to tune selectivity in hydrogenation reaction
Eric Bonnefille
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Fernando Novio
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Torsten Gutmann
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Romuald Poteau
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Pierre Lecante
Article dans une revue
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Dinuclear gold(I) and gold(III) complexes involving di(N-heterocyclic carbene) ligands – Synthesis, characterization and DFT studies
Catherine Hemmert
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Romuald Poteau
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Manon Laurent
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Heinz Gornitzka
Article dans une revue
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Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles
Iker Del rosal
,
Maxime Mercy
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I.C. Gerber
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Romuald Poteau
Article dans une revue
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Investigation of the surface chemistry of phosphine-stabilized ruthenium nanoparticles - an advanced solid-state NMR study
Torsten Gutmann
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Eric Bonnefille
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Hergen Breitzke
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Pierre-Jean Debouttière
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Karine Philippot
Article dans une revue
hal-00995693v1
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Amide-Functionalized Bis(NHC) Systems: Anion Effect on Gold-Gold Interactions
Catherine Hemmert
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Romuald Poteau
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François Jean-Baptiste-Dit-Dominique
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Paola Ceroni
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Giacomo Bergamini
Article dans une revue
hal-02909926v1
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Dimeric Gold Bis(carbene) Complexes by Transmetalation in Water
Jérémy Cure
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Romuald Poteau
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I.C. Gerber
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Heinz Gornitzka
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Catherine Hemmert
Article dans une revue
hal-02909587v1
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DFT calculations of 29Si-NMR chemical shifts in Ru(II) silyl complexes. Searching for trends and accurate values.
Amalia Poblador-Bahamonde
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Romuald Poteau
,
Christophe Raynaud
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Odile Eisenstein
Article dans une revue
hal-00633440v1
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Multicentered effective group potentials: ligand-field effects in organometallic clusters and dynamical study of chemical reactivity
Christophe Raynaud
,
Iker Del rosal
,
Franck Jolibois
,
Laurent Maron
,
Romuald Poteau
Article dans une revue
hal-00493604v1
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Jean-Pierre Daudey, a scientific itinerary
Michel Caffarel
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Jean-Paul Malrieu
,
Romuald Poteau
,
Alejandro Ramirez-Solis
Article dans une revue
hal-00866178v1
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Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State 2 H NMR and Quantum Chemical Calculations
Torsten Gutmann
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Bernadeta Walaszek
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Xu Yeping
,
Maria Wächtler
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Iker Del rosal
Article dans une revue
hal-02350833v1
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Evaluation of new thiadiazoles and benzothiazoles as potential radioprotectors : Free radical scavenging activity in vitro and theoretical studies (QSAR, DFT)
C. Prouillac
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Patricia Vicendo
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Jean-Christophe Garrigues
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Romuald Poteau
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G. Rima
Free Radical Biology and Medicine, 2009, 46, pp.1139-1148
Article dans une revue
hal-00443809v1
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Theoretical proposal for an organometallic route to cis-peptides
Georges Trinquier
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Romuald Poteau
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Laurent Maron
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Bruno Chaudret
Article dans une revue
hal-00835609v1
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Estimating the "Steric clash" at cis peptide bonds
Simon Mathieu
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Romuald Poteau
,
Georges Trinquier
Article dans une revue
hal-00952040v1
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Propensity for local folding induced by the urea fragment in short-chain oligomers.
Lucile Fischer
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Claude Didierjean
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Franck Jolibois
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Vincent Semetey
,
Jose Manuel Lozano
Article dans une revue
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What can we do with an effective group potential?
Yannick Carissan
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Fabienne Bessac
,
Fabienne Alary
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Jean-Louis Heully
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Romuald Poteau
Article dans une revue
hal-01447606v1
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Ab initio molecular dynamics simulation of the UV absorption spectrum of β-ionone
Christophe Raynaud
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Romuald Poteau
,
Laurent Maron
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Franck Jolibois
Article dans une revue
hal-00171228v1
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Theoretical Study of Ln(III) Complexes with Polyaza-Aromatic Ligands: Geometries of [LnL(H 2 O) n ] 3+ Complexes and Successes and Failures of TD-DFT
F. Gutierrez
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C. Rabbe
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Romuald Poteau
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J. Daudey
Article dans une revue
cea-03095749v1
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Effective group potentials: a powerful tool for hybrid QM/MM methods?
Fabienne Bessac
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Fabienne Alary
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Yannick Carissan
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Jean-Louis Heully
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Jean-Pierre Daudey
Article dans une revue
hal-01442316v1
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Monte Carlo ab initio simulation of the absorption spectrum of Na4
Romuald Poteau
,
Daniel Maynau
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Fernand Spiegelmann
Article dans une revue
hal-01757359v1
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Static, statistical, and dynamical properties of small sodium clusters
Romuald Poteau
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Daniel Maynau
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Jean-Pierre Daudey
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Fernand Spiegelman
Zeitschrift für Physik D Atoms, Molecules and Clusters, 1993, 26 (1-4), pp.232 - 235. ⟨10.1007/BF01429154⟩
Article dans une revue
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Distance-dependent Hückel-type model for the study of sodium clusters
Romuald Poteau
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Fernand Spiegelmann
Article dans une revue
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