Grp Simulations from Ab Initio Approaches

Researchers have watched in real time how molecules move during singlet exciton fission, an important process in light-based technologies. They observed the movements in single crystals comprised of pentacene molecules, showing that a collective motion of molecules may be the origin of the fast timescales connected to this process. more

Molecular quantum switches get help from the surfaces they are adsorbed on. In porphycene molecules, heavy surface atoms like copper participate in the intramolecular hydrogen tunneling reaction and can cause an increase in the tunneling rate by up to two orders of magnitude at a temperature of around 80 K. more