Principal Investigator

Madeleine   Schultz Research School of Chemistry, ANU

Project Title

Density Functional Study of Ruthenium Phosphine Complexes

Brief Description for General Publications

The program ADF will be used to examine energy minima for ruthenium phosphine complexes, in order to elucidate the results of synthetic studies being conducted in parallel to the theoretical investigations. The experimental research is being conducted within the research group of Prof. A F Hill, which does not have any facilities for theoretical studies; hence, the ANUSF is the most appropriate resource for carrying out those studies.