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- [BCB] Biométaux et Chimie Biologique
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- [LCQS] Chimie Quantique de Strasbourg
- [LECPCS] Electrochimie et Chimie Physique du Corps Solide
- [COSyS] Catalyse Organométallique, Synthèse organique et Santé
- [SOPhy] Synthèse Organique & Phytochimie
- [LSAMM] Synthèse des Assemblages Moléculaires Multifonctionnels
- [LCSOM] Chimie et Systémique Organo-Métalliques
- [CBAT] Chimie Biologique et Applications Thérapeutiques
- [ECMC] Confinement Moléculaire et Catalyse
- [POMAM] Propriétés Optiques et Magnétiques des Architectures Moléculaires
- Biophysique des membranes et RMN
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News
Physical Review B [LCQ]
Abstract : Quantum embedding based on the (one-electron-reduced) density matrix is revisited by means of the unitary Householder transformation. While being exact and equivalent to (but formally simpler than) density matrix embedding theory (DMET) in the noninteracting case, the resulting Householder-transformed density matrix functional embedding theory (Ht-DMFET) preserves, by construction,...[more]
Chem Catalysis [LASYROC]
Summary : Gold(I) catalysts enable the chemoselective addition of tailor-made N-sulfonylated azetidine derivatives onto alkynes, affording bicyclic vinyl-ammonium gold intermediates. Intramolecularly intercepted by an adequately positioned nucleophilic carbonate or ester function, these ammoniums efficiently lead to ring-expanded azepine products, which are important pharmacophore fragments....[more]
Lauréat projets (AAP) IdEx Recherche 2021 "Contrats postdoctoraux" [LCQ]
L’Institut de Chimie de Strasbourg a le plaisir de vous annoncer que le projet “Rewriting density functional theory for Ensembles: Towards an in-principle-exact description of DEnsity-driven correlations and Coupling terms” (REDEC) déposé par le Professeur E. Fromager (LCQ, Laboratoire de Chimie Quantique, UMR 7177) dans le cadre de l’appel à projets (AAP) IdEx Recherche 2021 "Contrats...[more]
Angew. Chem. Int. Ed. [LASYROC]
Abstract : Chalcogen bonding results from non-covalent interaction occurring between electrodeficient chalcogen atoms and Lewis bases. Among the chalcogens, tellurium is the strongest Lewis acid but Te-based compounds are scarcely used as organocatalyst. For the first time, telluronium cations demonstrated impressive catalytic property at low loading in three benchmark reactions: the...[more]
Organic Letters [SOPhy]
Abstract : The significance of molecules containing difluoromethyl groups is driven by their potential applications in pharmaceutical and agrochemical science. Methods for the incorporation of lightly fluorinated groups such as CF2H have been less well developed. Here we report the use of difluorinated diazoacetone as a practical reagent for the direct synthesis of CF2H-substituted 2-amidofurans...[more]
Coordination Chemistry Reviews [ECMC]
Abstract : Cavity-shaped ligands offer unique opportunities for influencing the first sphere of coordination of metals because of their capacity to act as containers for metal centers and/or preorganization platforms. These unique properties are of particular importance in asymmetric metal catalysis where spatial control around the coordinated substrate is of paramount importance for reaching...[more]
Phys. Chem. Chem. Phys. [POMAM]
Abstract : A 16-line pattern has been theoretically predicted, but hitherto not reported, for the Electron Paramagnetic Resonance (EPR) spectrum of antiferromagnetically coupled CuII triangles experiencing isotropic exchange of isosceles magnetic symmetry. Now, the crystallization of such a triangular species and its X-ray structure determination in a polar space group, R3 (No. 146), has enabled...[more]