Polarizable Embedding: Modelling of Solvent Effects in UV/Visual Spectroscopy

摘要

At present, the PE method is in an active stage of development, so that it will certainly take some time before it can be routinely used by the users of computer simulations. However, the potential of the method has already been demonstrated in several applications [7]. The PE method is therefore a valuable tool for the better simulation and understanding of environmental effects on UV/visual spectroscopy.