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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?

Authors :
Gwee, Eunice S. H.
Seeger, Zoe L.
Appadoo, Dominique R. T.
Wood, Bayden R.
Izgorodina, Ekaterina I.
Source :
ACS Omega; 3/31/2019, Vol. 4 Issue 3, p5254-5269, 16p
Publication Year :
2019

Details

Language :
English
ISSN :
24701343
Volume :
4
Issue :
3
Database :
Supplemental Index
Journal :
ACS Omega
Publication Type :
Academic Journal
Accession number :
145032081
Full Text :
https://doi.org/10.1021/acsomega.8b03455