Research report 2019 - Max-Planck-Institut für Kohlenforschung
Quantifying London dispersion – novel computational methods allow to harness the power of van der Waals interactions for chemical applications
Giovanni Bistoni und Alexander A. Auer
Max-Planck-Institut für Kohlenforschung, Abteilung für Molekulare Theorie und Spektroskopie, Mülheim an der Ruhr
SummaryScientists at the Max-Planck-Institut für Kohlenforschung have developed new computational approaches to quantify and analyze accurately van der Waals interactions. In a series of studies they demonstrated how important understanding the fine details of intermolecular interactions is for the creation of complex structures and the design of efficient reaction paths. This of intermolecular interactions is for the creation of complex structures and the design of efficient reaction paths. This opens new possibilities for catalysis, biochemistry and materials science.