Laboratoire de Physique et Chimie des Nano-objets
Institut National des Sciences Appliquées
135 avenue de Rangueil, 31077 TOULOUSE CEDEX 4 - FRANCE
Tél : 00 33 05 61 55 96 45 | Fax : (+33) (0)5 61 55 96 97
135 avenue de Rangueil, 31077 TOULOUSE CEDEX 4 - FRANCE
Tél : 00 33 05 61 55 96 45 | Fax : (+33) (0)5 61 55 96 97
Accueil du site > LPCNO > Publications > Articles > 2009 > Bond Activations of PhSiH3 by CP2SmH : A Mechanistic Investigation by the DFT Method
L. Perrin, L. Maron, O. Eisenstein, T. Don Tilley
Bond Activations of PhSiH3 by CP2SmH : A Mechanistic Investigation by the DFT Method
ORGANOMETALLICS, VL 28, IS 13, 3767 – 3775
Dans la même rubrique :
- Is Thorium a d Transition Metal or an Actinide ? An Answer from a DFT Study of the Reaction between Pyridine N-Oxide and Cp2M(CH3)(2) with M = Zr, Th, and U
- A DFT study of the single electron reduction and silylation of the U-O bond of the uranyl dication in a macrocyclic environment
- Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation
- Ligand effect on the NMR, vibrational and structural properties of tetra- and hexanuclear ruthenium hydrido clusters : a theoretical investigation
- Evaluation of new thiadiazoles and benzothiazoles as potential radioprotectors : Free radical scavenging activity in vitro and theoretical studies (QSAR, DFT)
- Synthesis of High Moment CoFe Nanoparticles via Interfacial Diffusion in Core/Shell Structured Co/Fe
- On the Initiation Mechanism of Syndiospecific Styrene Polymerization Catalyzed by Single-Component ansa-Lanthanidocenes
- Can 1,3-butadiene be catalytically hydrophosphinated in the presence of Cp2EuH ? A DFT investigation
- Ab initio molecular dynamics studies on the lowest triplet and singlet potential surfaces of the azide cation : Anharmonic effects on the vibrational spectra of linear and cyclic N-3(+)
- Influence of nitrogen doping on the radial breathing mode in carbon nanotubes
- Decamethylytterbocene complexes of bipyridines and diazabutadienes : Multiconfigurational ground states and open-shell singlet formation
- Gold(i) complexes of phosphanyl gallanes : From interconverting to separable coordination isomers
- Hydrogen for x-group exchange in CH3X (X = Cl, Br, I, OMe, and NMe2) by monomeric [1,2,4-(Me3C)(3)C5H2](2)CeH : Experimental and computational support for a carbenoid mechanism
- DFT 2H quadrupolar coupling constants of ruthenium complexes : a good probe of the coordination of hydrides in conjuction with experiments
- Multicentered Effective Group Potentials : ligand-field effects in organometallic clusters and dynamical study of chemical reactivity
- Magnetism of single-crystalline Co nanorods
- Magnetoresistance and collective Coulomb blockade in superlattices of FeCo nanoparticles
- Iron nanoparticles growth in organic super-structures
- Cobalt growth on the tips of CdSe nanorods.
- Liquid crystalline magnetic materials
