Vous êtes ici : Home   >   News

News

Feb 1 2021

INSTITUT DE CHIMIE, UNE ANNÉE D’ACTUALITÉS (POMAM)

Concerning the POMAM’s group article “Polyanisotropic magnetoelectric coupling in an electrically controlled molecular spin qubit” published and chosen for the front cover of JACS Volume 141, Issue 50 (December 18, 2019) and selected to appear in the “Actualités de l’INC” of March 2020.   The Institute of Chemistry of Strasbourg (UMR7177), is proud to inform you that this article has also been...[more]

Jan 27 2021

2019, UNE ANNÉE avec le CNRS en Alsace (SOPhy/ IBMP/RMN)

Regarding the article "A Promiscuous CYP706A3 Reduces Terpene Volatile Emission from Arabidopsis Flowers, with Impacts on Florivores and Floral Microbiome” published in Plant Cell in december 2019 and previously selected for “les Actualités de l’INSB”. The Institute of Chemistry is pleased to inform you that this work resulting from a close collaboration of the SOPhy team directed by L. Miesch...[more]

Jan 14 2021

J. Chem. Theory Comput. [IFM]

Summary : Entropy is a key thermodynamic property governing most biomolecular processes, including binding. Nonetheless, quantification of the configurational entropy of a single molecule in solution remains a grand challenge. Here, we present an original approach for the calculation of absolute molecular entropies based on the analysis of converged molecular dynamics (MD) simulations. Our...[more]

Jan 13 2021

Phys. Rev. A [LCQ]

Abstract: Capturing the discontinuous shift by Δ in the exact exchange-correlation (xc) potential is the standard proposal for calculating the fundamental gap Eg from the Kohn-Sham (KS) gap ɛg within KS density functional theory (DFT) as Eg=ɛg+Δ, yet this discontinuity is absent from existing approximations. The “N-centered” formulation of ensemble DFT artificially maintains a total electron...[more]

Jan 12 2021

Nouvelle chargée de recherche dans notre UMR

L’institut de chimie de Strasbourg (UMR7177) a le plaisir de vous informer de l’arrivée d’une nouvelle chargée de recherche (CNRS) au sein de l’équipe ECMC (Confinement Moléculaire et Catalyse) dirigée par Dominique Armspach: Katrin Pelzer.  En Septembre 2020, Katrin Pelzer a rejoint l’équipe ECMC au sein de laquelle de nombreuses phosphines confinantes ont été synthétisées. Profitant de cette...[more]

Dec 16 2020

Chem. Eur. J. [LSAMM]

Abstract : The complexation processes of N,N’‐dibutyl‐1,4,5,8‐naphthalene diimide (NDI) into two types of π‐electron‐rich molecular containers consisting of two Zn(II)‐porphyrins connected by four flexible linkers of two different lengths, were characterized by means of absorption and emission spectroscopies and molecular dynamics simulation. Molecular dynamics simulations confirm the fast...[more]

Dec 1 2020

New Phytologist [SOPhy]

Summary • Increased metabolism is one of the main causes for evolution of herbicide resistance in weeds, a major challenge for sustainable food production. The molecular drivers of this evolution are poorly understood. We tested here the hypothesis that a suitable context for the emergence of herbicide resistance could be provided by plant enzymes with high innate promiscuity with regard to...[more]

Previous

1

2

3

4

5

6

7

8

9

10

Next