| Literature DB >> 28759855 |
Abstract
Some platinum oxime complexes are optimized at HF/CEP-31G level which has been reported as the best level for these type complexes in the gas phase. IR spectrum is calculated and the new scale factor is derived. NMR spectrum is calculated at the same level of theory and examined in detail. Quantum chemical parameters which have been mainly used are investigated and their formulas are given in detail. Additionally, selected quantum chemical parameters of studied complexes are calculated. New theoretical IC50% formulas are derived and biological activity rankings of mentioned complexes are investigated.Entities:
Keywords: Anti-cancer investigations; Biological activity; Computational study; Pt(II) oxime complex
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Year: 2017 PMID： 28759855 DOI： 10.1016/j.saa.2017.07.036
Source DB: PubMed Journal: Spectrochim Acta A Mol Biomol Spectrosc ISSN： 1386-1425 Impact factor: 4.098