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Mar 6 2019

The Journal of Chemical Physics [LCQ]

Abstract : Gross–Oliveira–Kohn density-functional theory (GOK-DFT) for ensembles is the DFT analog of state-averaged wavefunction-based (SA-WF) methods. In GOK-DFT, the SA (so-called ensemble) exchange-correlation (xc) energy is described by a single functional of the density which, for a fixed density, depends on the weights assigned to each state in the ensemble. We show that if a...[more]

Mar 5 2019

New Book Chapter [LCSOM]

        From the Book:    Noncovalent Interactions in Catalysis    All Chapters   CHAPTER 27 Noncovalent Interactions in Key Metal-centred Catalytic Intermediates: Structure–Electronic Relationship Mustapha Hamdaoui and Jean-Pierre Djukic This chapter covers the most recent advances in investigations of the most critical intermediates in transition metal-promoted processes with a...[more]

Mar 1 2019

Organic Letters [SOPhy]

Abstract : Two unprecedented domino reactions are described, starting from ketospiro-enesulfonamides. By treatment with ZrCl4 and allylsilane, an intramolecular electrophilic aromatic substitution and subsequent allylation is observed. By treatment with TiCl4 and allylsilane, a double enamine-type reaction takes place, thus creating simultaneously four contiguous stereogenic centers...[more]

Mar 1 2019

HETEROCYCLES [SOPhy]

Abstract : Natural, non-natural and ent-14β-hydroxyandrostane derivatives closely related to the cardenolide and bufadienolide skeletons were readily available through highly diastereo-/enantioselective Diels–Alder reactions calling for high pressure or Lewis acid activation. Moreover, in the presence of (R)- or (S)-carvone as chiral dienophile, the Diels–Alder reaction took place under...[more]

Jan 24 2019

Organic Letters [CLAC, POMAM, LEPCS, LCQ]

Abstract : Functionalization of a methylviologen with four methyl ester substituents significantly facilitates the first two reduction steps. The easily generated radical cation shows markedly improved air stability compared to the parent methylviologen, making this derivative of interest in organic electronic applications. Graphical Abstract : Reference : Mathilde Berville, Jimmy Richard,...[more]

Jan 22 2019

Revue de Presse: les 10 ans de l'UNISTRA

    For more informations, please visit: https://lactu.unistra.fr/index.php?id=28743&utm_source=lactu_168 [more]

Jan 18 2019

Soutenance de thèse de Fatih Sirindil

Soutenance de thèse de doctorat de Fatih Sirindil Vendredi 18 janvier 2019 à 14h00, Amphithéâtre Alain Beretz (nouveau patio). Titre : "Développement de réactions catalysées à l’or et au palladium: synthèse totale d’alcaloïdes de la famille du Rhazinilam" Directeurs de thèse: Patrick Pale et Aurélien Blanc, LASYROC, Institut de Chimie de Strasbourg (UMR 7177).[more]