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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 :
Eunice S. H. Gwee
Zoe L. Seeger
Dominique R. T. Appadoo
Bayden R. Wood
Ekaterina I. Izgorodina
Source :
ACS Omega, Vol 4, Iss 3, Pp 5254-5269 (2019)
Publication Year :
2019
Publisher :
American Chemical Society, 2019.

Subjects

Subjects :
Chemistry
QD1-999

Details

Language :
English
ISSN :
24701343
Volume :
4
Issue :
3
Database :
Directory of Open Access Journals
Journal :
ACS Omega
Publication Type :
Academic Journal
Accession number :
edsdoj.8f5f00a1495c47bbb53b95c9ba62b452
Document Type :
article
Full Text :
https://doi.org/10.1021/acsomega.8b03455