The indentation deformation of a metal–organic framework (MOF) glass is found to mainly arise from the elastic and densification, but does not involve shear flow. structural origin this behavior discussed.
Mario BarbattiMario VazdarAdélia J A AquinoMirjana Eckert-MaksićHans Lischka
Multireference configuration interaction (MRCI) calculations have been performed for pyrrole with the aim of providing an explanation for the experimentally observed photochemical deactivation processes. Potential energy curves and minima on the crossing seam were determined using the analytic MRCI gradient and nonadiabatic coupling features of the COLUMBUS program system. A new deactivation me...
