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Topological Analysis of the Interactions between Organic Molecules and Co(Ni)MoS Catalytic Active Phases

Emmanuel Krebs1, Bernard Silvi1, Pascal Raybaud1

  • 1Laboratoire de Chimie Théorique, Université Pierre et Marie Curie, (UMR-CNRS 7616), 4 Place Jussieu 75252-Paris cédex, France, IFP Direction Chimie et Physico-Chimie Appliquées, 1 & 4 Av. de Bois-Préau, 92852 Rueil-Malmaison cédex, France, and IFP Direction Catalyse et Séparation, Rond-point de l'échangeur de Solaize, BP3 69360 Solaize, France.

Journal of Chemical Theory and Computation
|November 27, 2015
PubMed

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