Christophe Raynaud - Dissemin

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Papers authored by Christophe Raynaud

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2008 David Balcells, Christophe Raynaud

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, Robert H. Crabtree, Odile Eisenstein

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The rebound mechanism in catalytic C–H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species

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2006 Christophe Raynaud

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, Romuald Poteau

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, Laurent Maron, Franck Jolibois

Ab initio molecular dynamics simulation of the UV absorption spectrum of β-ionone

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Christophe Raynaud

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, Lionel Perrin

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, Laurent Maron

A DFT Study of Stannane Dehydrocoupling Catalyzed by Cp2LaH

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Christophe Raynaud

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, Laurent Maron, Jean-Pierre Daudey, Franck Jolibois

Berry Pseudorotation Mechanism for the Interpretation of the19F NMR Spectrum in PF5by Ab Initio Molecular Dynamics Simulations

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Christophe Raynaud

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, Jean-Pierre Daudey, Franck Jolibois, Laurent Maron

Ab Initio Dynamic Study of the Reaction of Cl2LaR (R = H, CH3) with H2

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2005 Christophe Raynaud

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, Laurent Maron, Franck Jolibois, Jean-Pierre Daudey, Pierre M. Esteves, Alejandro Ramírez-Solís

Ab initio molecular dynamics: Plane waves vs. local basis

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Christophe Raynaud

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, 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

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2004 Christophe Raynaud

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, Laurent Maron, Jean-Pierre Daudey, Franck Jolibois

Reconsidering Car–Parrinello molecular dynamics using direct propagation of molecular orbitals developed upon Gaussian type atomic orbitals

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