Lead Chief Investigator

Robert Stranger Research School of Chemistry, Science, ANU

Project Title

DFT and TD-DFT Studies of Organometallic and Metal Cluster Systems

Brief Description for General Publications

The CIs have a long-standing collaboration in the field of electronic structure studies of organometallic and cluster systems. These research areas have been continuously supported by the ARC for over 15 years. The research group of the chemical synthesis CI (Humphrey) has undergone rapid expansion recently, necessitating greatly increased complementary theoretical chemistry studies. A number of both established and new research students are undertaking projects with both a synthesis and theoretical dimension, the latter supervised by the Lead CI (Stranger) and Investigator 3 (Petrie). The proposed studies will support projects focusing on new nonlinear optical materials, and will train students with desirable synthesis/theory skill sets.