Influence of DFT Functionals and Solvation Models on the Prediction of Far-Infrared Spectra of Pt-Based Anticancer Drugs: Why Do Different Complexes Require Different Levels of Theory?

• Eunice S. H. Gwee,
• Zoe L. Seeger,
• Dominique R. T. Appadoo,
• Bayden R. Wood,
• Ekaterina I. Izgorodina

Affiliations

Eunice S. H. Gwee

†Monash Computational Chemistry Group, School of Chemistry, Monash University, Clayton, Victoria, Australia

Zoe L. Seeger

†Monash Computational Chemistry Group, School of Chemistry, Monash University, Clayton, Victoria, Australia

Dominique R. T. Appadoo

Australian Synchrotron, Clayton, Victoria, Australia

Bayden R. Wood

§Centre for Biospectroscopy, School of Chemistry, Monash University, Clayton, Victoria, Australia

Ekaterina I. Izgorodina

†Monash Computational Chemistry Group, School of Chemistry, Monash University, Clayton, Victoria, Australia