Optical Properties of Complex Plasmonic Materials Studied with Extended Effective Medium Theories Combined with Rigorous Coupled Wave Analysis

Autor: Elie Nadal, Hervé Glénat, Noémi Barros, Hamid Kachakachi

Publikováno v: Materials
Materials, MDPI, 2018, 11 (3), pp.351. ⟨10.3390/ma11030351⟩
Materials, Vol 11, Iss 3, p 351 (2018)
Materials; Volume 11; Issue 3; Pages: 351

In this study we fabricate gold nanocomposites and model their optical properties. The nanocomposites are either homogeneous films or gratings containing gold nanoparticles embedded in a polymer matrix. The samples are fabricated using a recently dev

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dffd31fc993f9401b9bd76641212bbce
https://hal.archives-ouvertes.fr/hal-02369458

DFT Investigation of the Catalytic Hydromethylation of α-Olefins by Metallocenes. 1. Differences between Scandium and Lutetium in Propene Hydromethylation

Autor: T. Don Tilley, Laurent Maron, Odile Eisenstein, Noémi Barros

Publikováno v: Organometallics. 25:5699-5708

A DFT study of the catalytic properties of Cp2ScCH3 and Cp2LuCH3 in the hydromethylation of propene has been performed. The catalytic behavior of Cp2ScCH3 is confirmed, and the formation of secondary products is rationalized. It is shown that Cp2LuCH

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::38046ca420124f1918ca63abc80daa0d
https://doi.org/10.1021/om060498z

U(SMes*)n, (n = 3, 4) and Ln(SMes*)3 (Ln = La, Ce, Pr, Nd): Lanthanide(III)/Actinide(III) Differentiation in Agostic Interactions and an Unprecedented η3 Ligation Mode of the Arylthiolate Ligand, from X-ray Diffraction and DFT Analysis

Autor: Noémi Barros, Michel Ephritikhine, Pierre Thuéry, Laurent Maron, Mathieu Roger, Therese Arliguie

Publikováno v: Journal of the American Chemical Society. 128:8790-8802

Reaction of U(NEt2)4 with HS-2,4,6-tBu3C6H2 (HSMes*) gave U(SMes*)3(NEt2)(py) (1), whereas similar treatment of U[N(SiMe3)SiMe2CH2][N(SiMe3)2]2 afforded U(SMes*)[N(SiMe3)2]3 (2) and U(SMes*)3[N(SiMe3)2]. The first neutral homoleptic uranium(IV) thiol

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::73a0dd4731b2d5420b3c970476109681
https://doi.org/10.1021/ja0584830

Improved embedding ab initio model potentials for embedded cluster calculations

Autor: Zoila Barandiarán, Luis Seijo, Noémi Barros, José Luis Pascual

Publikováno v: Biblos-e Archivo. Repositorio Institucional de la UAM
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An improvement in the method of production of embedding ab initio model potentials (AIMP) for embedded cluster calculations in ionic solids is proposed and applied to the oxides CeAlO(3), CeO(2), and UO(2). The improvement affects the calculation of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d0c07f8bbad7774d7dd3bd0374bb9a8
https://pubmed.ncbi.nlm.nih.gov/19496579

Linear Uranium Complexes X2UL5 with L=Cyanide, Isocyanate: DFT Evidence for Similarities between Uranyl (X=O) and Uranocene (X=Cp) Derivatives

Autor: Colin J. Marsden, Nathalie Iché-Tarrat, Laurent Maron, Noémi Barros

Publikováno v: Chemistry-A European Journal
Chemistry-A European Journal, 2008, 14 (7), pp.2093-2099. ⟨10.1002/chem.200701511⟩
Chemistry-A European Journal, Wiley-VCH Verlag, 2008, 14 (7), pp.2093-2099. ⟨10.1002/chem.200701511⟩

A DFT study of the isostructural compounds [UO 2 L 5 ] n with n=3-5 and linear [Cp 2 UL 5 ] m- with m=1-3 has been carried out for two different anionic ligands. Structurally stable structures are obtained for all systems. The coordination competitio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::809bbac0e1dabaa0092c98499e8cea66
https://hal.science/hal-00951616