So many events going on and so little time to blog about.
Two weeks ago, four members of this group traveled to Morelia in southern Mexico to present their research at the XIII Mexican Physical Chemistry Meeting. 596 more words
Tags » Computational Chemistry
Commonly used DFs do not describe the long-range dispersion interactions correctly. All semilocal DFs and conventional hybrid functionals asymptotically cannot provide the correct -C6/R^6 dependence of the dispersion interaction energy on the interatomic (molecular) distance R. 386 more words
Since the discovery of the harmful effect of chlorofluorocarbons (CFCs) to the ozone layer and global warming, these compounds have been prohibited by the Montreal Protocol, leading to the usage of hydrochlorofluorcarbons (HCFCs) as substitutes. 252 more words
Direct arylation is emerging as a highly promising method to construct inexpensive conjugated materials for large area electronics from simple and environmentally benign building blocks. Our experimental colleagues, led by Michael Sommer from the University of Freiburg, showed that exclusive α-C-H selectivity is feasible in the DA of π-extended monomers having unsubstituted thiophene or furan units, leading to fully linear materials. 117 more words
I had a blast last week at WATOC2014 in Santiago de Chile! It was a wonderful opportunity to find old friends, meet new ones and listen to some exciting research done around the world, as well as some of the classics such as Pekka Pyykkö, who was awarded the Schrödinger medal. 451 more words