DFT Calculation for Inorganic Chemistry


nym1226s - Posted on 08 December 2011

Project Description: 

In recent years, it has been very popular to apply DFT calculation in inorganic chemistry field. It accurately estimates different kinds of properties of inorganic complexes, which gives a hand to chemists in studying those compounds and their characteristics. My project is to use DFT calculation to investigate the photophysical and photochemical properties of some inorganic complexes. Gaussian would be the major programme that I will use.