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?

Bibliographic Details
Main Authors: Eunice S. H. Gwee, Zoe L. Seeger, Dominique R. T. Appadoo, Bayden R. Wood, Ekaterina I. Izgorodina
Format: Article
Language:English
Published: American Chemical Society 2019-03-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.8b03455