Nombre de documents

32

CV de Christophe Raynaud


Communication dans un congrès3 documents

  • Christophe Raynaud. Modeling Amorphous Silica Grafted Schrock Olefin Metathesis Catalysts. Xth International Conference of Computational Methods in Science and Engineering, Apr 2014, Athènes, Greece. <hal-00974958>
  • C Chentouf, Jean-Louis Raynaud, S.-J. Huang, Noureddine Bouhaddi, C Laitem. Modèle dynamique de stators de moteurs ferroviaires. 20e Congrès Français de Mécanique , Aug 2011, besançon, France. <hal-01512526>
  • Sid Ahmed Chentouf, Sheng Jun Huang, Jean-Louis Raynaud, Claude Laitem, Noureddine Bouhaddi. Dynamique d'une structure feuillée-soudée d'un stator de moteur de traction ferroviaire: essais et validation de modèles. 9e Colloque national en calcul des structures, May 2009, Giens, France. <hal-01413609>

Article dans une revue28 documents

  • Shen Zhao, Gabriela Borin Barin, Loïc Rondin, Christophe Raynaud, Andrew Fairbrother, et al.. Optical Investigation of On-Surface Synthesized Armchair Graphene Nanoribbons. physica status solidi (b), Wiley, 2017, <http://dx.doi.org/10.1002/pssb.201700223>. <10.1002/pssb.201700223>. <cea-01577757>
  • L. Jonas L. Häller, Elena Mas-Marzá, Mateusz K. Cybulski, Rajashekharayya A. Sanguramath, Stuart A Macgregor, et al.. Computation provides chemical insight into the diverse hydride NMR chemical shifts of [Ru(NHC)4(L)H]0/+ species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H−, F− and Cl−) and their [Ru(R2PCH2CH2PR2)2(L)H]+ congeners. Dalton Transactions, Royal Society of Chemistry, 2017, 46, pp.2861-2873. <10.1039/C7DT00117G>. <hal-01487454>
  • Tony Abi-Tannous, Maher Soueidan, Gabriel Ferro, Mihai Lazar, Christophe Raynaud, et al.. Thermally Stable Ohmic Contact to p-Type 4H-SiC Based on Ti3SiC2 Phase. Materials Science Forum, Trans Tech Publications Inc., 2016, 858, pp.553 - 556. <10.4028/www.scientific.net/MSF.858.553>. <hal-01388027>
  • Hassan Hamad, Christophe Raynaud, Pascal Bevilacqua, Sigo Scharnholz, Bertrand Vergne, et al.. Determination of 4H-SiC Ionization Rates Using OBIC Based on Two-Photon Absorption . Materials Science Forum, Trans Tech Publications Inc., 2016, 858, pp.245 - 248. <10.4028/www.scientific.net/MSF.858.245>. <hal-01388035>
  • Selsabil Sejil, Mihai Lazar, Frédéric Cayrel, Davy Carole, Christian Brylinski, et al.. Optimization of VLS Growth Process for 4H-SiC P/N Junctions. Materials Science Forum, Trans Tech Publications Inc., 2016, 858, pp.205 - 208. <10.4028/www.scientific.net/MSF.858.205>. <hal-01388031>
  • Stéphanie Halbert, Christophe Copéret, Christophe Raynaud, Odile Eisenstein. Elucidating the Link between NMR Chemical Shifts and Electronic Structure in d0 Olefin Metathesis Catalysts. Journal of the American Chemical Society, American Chemical Society, 2016, 138 (7), pp.2261-2272. <10.1021/jacs.5b12597>. <hal-01278805>
  • Tony Abi-Tannous, Maher Soueidan, Gabriel Ferro, Mihai Lazar, Christophe Raynaud, et al.. A Study on the Temperature of Ohmic Contact to p-Type SiC Based on Ti 3 SiC 2 Phase. IEEE Transactions on Electron Devices, Institute of Electrical and Electronics Engineers, 2016, 63 (6), pp.2462 - 2468. <10.1109/TED.2016.2556725>. <hal-01387992>
  • Hassan Hamad, Christophe Raynaud, Pascal Bevilacqua, Sigo Scharnholz, Dominique Planson. Temperature Dependence of 4H-SiC Ionization Rates Using Optical Beam Induced Current. Materials Science Forum, Trans Tech Publications Inc., 2015, 821-823, pp.223 - 228. <10.4028/www.scientific.net/MSF.821-823.223>. <hal-01387987>
  • Selsabil Sejil, Farah Laariedh, Mihai Lazar, Davy Carole, Christian Brylinski, et al.. VLS Grown 4H-SiC Buried P+ Layers for JFET Lateral Structures. Materials Science Forum, Trans Tech Publications Inc., 2015, 821-823, pp.789 - 792. <10.4028/www.scientific.net/MSF.821-823.789>. <hal-01387983>
  • Hassan Hamad, Pascal Bevilacqua, Dominique Planson, Christophe Raynaud, Dominique Tournier, et al.. 2D Electric field imagery in 4H-SiC power diodes using OBIC technique. European Physical Journal: Applied Physics, EDP Sciences, 2015, 72 (2), <10.1051/epjap/2015150054>. <hal-01387989>
  • Hsueh-Ju Liu, Christophe Raynaud, Odile Eisenstein, T. Don Tilley. Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.. Journal of the American Chemical Society, American Chemical Society, 2014, 136 (32), pp.11473-11482. <10.1021/ja5054237>. <hal-01056168>
  • Hsueh-Ju Liu, Julie Guihaumé, Thomas Davin, Christophe Raynaud, Odile Eisenstein, et al.. 1,2-Hydrogen Migration to a Saturated Ruthenium Complex via Reversal of Electronic Properties for Tin in a Stannylene-to-Metallostannylene Conversion. Journal of the American Chemical Society, American Chemical Society, 2014, 136, pp.13991-13994. <10.1021/ja507799e>. <hal-01072716>
  • Audrey Cassen, Yann Gloaguen, Laure Vendier, Carine Duhayon, Amalia Poblador-Bahamonde, et al.. B-H, C-H, and B-C Bond Activation: The Role of Two Adjacent Agostic Interactions. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2014, 53, pp.7569-7573. <10.1002/anie.201404753>. <hal-01053546>
  • Amalia Poblador-Bahamonde, Christophe Raynaud, Odile Eisenstein. Structures of d4 MH3X: a Computational Study of the Influence of the Metal and the Ligands. Inorganic Chemistry, American Chemical Society, 2012, 51 (10), pp.5705-5715. <10.1021/ic3001448>. <hal-00695703>
  • Nathan D. Schley, Stéphanie Halbert, Christophe Raynaud, Odile Eisenstein, Robert Crabtree. Symmetrical Hydrogen Bonds in Iridium(III) Alkoxides with Relevance to Outer Sphere Hydrogen Transfer. Inorganic Chemistry, American Chemical Society, 2012, 51, pp.12313-12323. <10.1021/ic301601c>. <hal-00755799>
  • Amalia Poblador-Bahamonde, Romuald Poteau, Christophe Raynaud, Odile Eisenstein. DFT calculations of 29Si-NMR chemical shifts in Ru(II) silyl complexes. Searching for trends and accurate values.. Dalton Transactions, Royal Society of Chemistry, 2011, 40 (42), pp.11321 - 11326. <10.1039/C1DT11135C>. <hal-00633440>
  • Jonathan F. Hull, David Balcells, Effiette L.O. Sauer, Christophe Raynaud, Gary Brudvig, et al.. Manganese Catalysts for C−H Activation: An Experimental/Theoretical Study Identifies the Stereoelectronic Factor That Controls the Switch between Hydroxylation and Desaturation Pathways. Journal of the American Chemical Society, American Chemical Society, 2010, 132 (22), pp.7605-7616. <10.1021/ja908744w>. <hal-00485956>
  • Christophe Raynaud, Iker Del Rosal, Franck Jolibois, Laurent Maron, Romuald Poteau. Multicentered effective group potentials: ligand-field effects in organometallic clusters and dynamical study of chemical reactivity. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2010, 126 (3-4), pp.151-163. <10.1007/s00214-009-0615-z>. <hal-00493604>
  • Julie Guihaume, Christophe Raynaud, Odile Eisenstein, Lionel Perrin, Laurent Maron, et al.. Facile Interconversion of [Cp2(Cl)Hf(SnH3)] and [Cp2(Cl)Hf(μ-H)SnH2]: DFT Investigations of Hafnocene Stannyl Complexes as Masked Stannylenes. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2010, 49 (10), pp.1816 - 1819. <10.1002/anie.200906476>. <hal-00459000>
  • David Balcells, Pamela Moles, James Blakemore, Christophe Raynaud, Gary Brudvig, et al.. Molecular recognition in Mn-catalysed C-H oxydation. Reaction mechanism and origin of selectivity from a DFT perspective. Journal- Chemical Society Dalton Transactions, Royal Society of Chemistry, 2009, 2009 (30), pp.5989 - 6000. <10.1039/b905317d>. <hal-00410103>
  • David Balcells, Christophe Raynaud, Robert Crabtree, Odile Eisenstein. C-H Oxidation by Hydroxo Manganese(V) Porphyrins. A DFT Study.. Chemical Communications, Royal Society of Chemistry, 2009, pp.1772-1774. <10.1039/B821029B>. <hal-00357265>
  • David Balcells, Christophe Raynaud, Robert Crabtree, Odile Eisenstein. A Rational Basis for the Axial Ligand Effect in C−H Oxidation by [MnO(porphyrin)(X)]+ (X = H2O, OH−, O2−) from a DFT Study. Inorganic Chemistry, American Chemical Society, 2008, 47 (21), pp.10090-10099. <10.1021/ic8013706>. <hal-00326799>
  • Christophe Raynaud, Romuald Poteau, Laurent Maron, Franck Jolibois. Ab initio molecular dynamics simulation of the UV absorption spectrum of β-ionone. Journal of Molecular Structure: THEOCHEM, Elsevier, 2006, 771 (1-3), pp.43-50. <10.1016/j.theochem.2006.03.038>. <hal-00171228>
  • Christophe Raynaud, Laurent Maron, Jean-Pierre Daudey, Franck Jolibois. Berry Pseudorotation Mechanism for the Interpretation of the 19F NMR Spectrum in PF5 by Ab Initio Molecular Dynamics Simulations.. Chem. Phys. Chem., 2006, 7 (2), pp.407-413. <10.1002/cphc.200500297>. <hal-00171227>
  • Christophe Raynaud, Lionel Perrin, Laurent Maron. A DFT Study of Stannane Dehydrocoupling Catalyzed by Cp2LaH. Organometallics, American Chemical Society, 2006, 25 (13), pp.3143-3151. <10.1021/om051060m>. <hal-00171216>
  • Christophe Raynaud, Jean-Pierre Daudey, Franck Jolibois, Laurent Maron. Ab Initio Dynamic Study of the Reaction of Cl2LaR (R = H, CH3) with H2. Journal of Physical Chemistry A, American Chemical Society, 2006, 110 (1), pp.101-105. <10.1021/jp050771v>. <hal-00171222>
  • Christophe Raynaud, Jean-Pierre Daudey, Laurent Maron, Franck Jolibois. 1,4- vs 1,3-Prototropic Mechanism for Intramolecular Double Proton Transfer Reaction in Monothiooxalic Acid. Theoretical Investigation of Potential Energy Surface. Journal of Physical Chemistry A, American Chemical Society, 2005, 109 (42), pp.9646-9652. <10.1021/jp052782u>. <hal-00431282>
  • Christophe Raynaud, Laurent Maron, Jean-Pierre Daudey, Franck Jolibois. Reconsidering Car–Parrinello molecular dynamics using direct propagation of molecular orbitals developed upon Gaussian type atomic orbitals. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2004, 2004 (6), pp.4226-4232. <10.1039/b402163k>. <hal-00410105>

Thèse1 document

  • Christophe Raynaud. Dynamique moléculaire ab initio en base locale : principes et applications.. Autre. Université Paul Sabatier - Toulouse III, 2005. Français. <tel-00079109>