Multiscale modeling of solvent effects on molecular properties in aqueous solution

The main aim of the project is to model the effects of the molecular environment on the optical rotation, circular dichroism and Raman optical activity spectra by means of a method that combines quantum mechanical calculations (QM) with both polarizable c ontinuum model (PCM) and polarizable molecular mechanics (MM). The unified model is to be tested on lactamide and camphor.