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?
Author:
Affiliation:
1. Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168, Australia
Funder
Faculty of Science, Monash University
Australian Research Council
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b03455
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1. Platinum Compounds: a New Class of Potent Antitumour Agents
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5. Theoretical Study of Cisplatin Binding to DNA: The Importance of Initial Complex Stabilization
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