Regioselective Prato-adducts of M3N@C80 (M=Y, Gd)
In this collaboration project between ETH Zurich, Purdue University Fort Wayne, and the IQCC (Dr. Adri Romero-Rivera, Dr. Regioselective Prato-adducts of M3N@C80 (M=Y, Gd)
News
Sílvia Osuna wins Catalonian National Research Award for Young Talent
Every year the Catalan Foundation for Research and Innovation (FCRI), with the support of the Catalan Government, organises Sílvia Osuna wins Catalonian National Research Award for Young Talent
Carla Calvñ wins poster prize at BioExcel Summer School
This week took place the Remote BioExcel Summer School on Biomolecular Simulations, in virtual manner, which included a Carla Calvñ wins poster prize at BioExcel Summer School
Cover JACS on the aromaticity of boron clusters
The Journal of the American Chemical Society (JACS) features on its front cover the recently published article “Too Cover JACS on the aromaticity of boron clusters
Not Guilty on Every Count: the ÔÇÿNon-Innocent’ Nitrosyl Ligand
The nitrosyl ligand is the prototypic example of a so-called ÔÇÿnon-innocent’ ligand, which hinders the unambiguous assignment of Not Guilty on Every Count: the ÔÇÿNon-Innocent’ Nitrosyl Ligand
MSCA European Researchers’ Night (EuNightCat20), November 27
The project EuNightCat20, within the MSCA-NIGHT-2020 call, aims to celebrate the European Researchers’ Night in Catalonia. The consortium, MSCA European Researchers’ Night (EuNightCat20), November 27
Accelerated molecular dynamics simulations on SARS-CoV-2 (Accel-CoV-2)
A team of researchers from IQCC has been awarded computational time at the Piz Daint supercomputer of the Accelerated molecular dynamics simulations on SARS-CoV-2 (Accel-CoV-2)
Predictable selectivity in remote C-H oxidation of steroids via analysis of substrate binding mode
Predictability is a key requirement to encompass late-stage C-H functionalization in synthetic routes. However, prediction (and control) of Predictable selectivity in remote C-H oxidation of steroids via analysis of substrate binding mode
Too persistent to give up: aromaticity in boron clusters survives radical structural changes
Whereas the aromaticity of closo boranes is widely accepted, less is known about the aromaticity of nidoboranes. This Too persistent to give up: aromaticity in boron clusters survives radical structural changes
Locating Cytosine Conical Intersections by Laser Experiments and Ab Initio Calculations
The decay mechanism of S0 á S1 excited cytosine (Cyt) and the effect of substitution are studied combining Locating Cytosine Conical Intersections by Laser Experiments and Ab Initio Calculations