Members of the CEST group published a recent paper introducing a novel method to calculate CD spectra in the open source GPAW code. The publication shows that the implemented approach is more efficient than the commonly used linear-response method and can easily calculate CD spectra of nanoscale systems, such as hybrid silver clusters composed of over 1000 atoms.
Click here for original story, Researchers pave the way for calculating circular dichroism spectra more efficiently
Source: Phys.org