| dc.contributor.author | Sayin, Koray | |
| dc.contributor.author | Karakas, Duran | |
| dc.date.accessioned | 2019-07-27T12:10:23Z | |
| dc.date.accessioned | 2019-07-28T09:38:42Z | |
| dc.date.available | 2019-07-27T12:10:23Z | |
| dc.date.available | 2019-07-28T09:38:42Z | |
| dc.date.issued | 2018 | |
| dc.identifier.issn | 1386-1425 | |
| dc.identifier.uri | https://dx.doi.org/10.1016/j.saa.2017.07.036 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12418/6394 | |
| dc.description | WOS: 000412608600069 | en_US |
| dc.description | PubMed ID: 28759855 | en_US |
| dc.description.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. (C) 2017 Elsevier B.V. All rights reserved. | en_US |
| dc.description.sponsorship | office of scientific research projects of Cumhuriyet University [F-389] | en_US |
| dc.description.sponsorship | We are grateful the office of scientific research projects of Cumhuriyet University (Project No: F-389) for financial supports. This research was made possible by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | en_US |
| dc.relation.isversionof | 10.1016/j.saa.2017.07.036 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Pt(II) oxime complex | en_US |
| dc.subject | Computational study | en_US |
| dc.subject | Biological activity | en_US |
| dc.subject | Anti-cancer investigations | en_US |
| dc.title | Computational investigations of trans platinum(II) oxime complexes used as anticancer drug | en_US |
| dc.type | article | en_US |
| dc.relation.journal | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | en_US |
| dc.contributor.department | [Sayin, Koray -- Karakas, Duran] Cumhuriyet Univ, Dept Chem, Fac Sci, TR-58140 Sivas 12, Turkey | en_US |
| dc.identifier.volume | 188 | en_US |
| dc.identifier.endpage | 546 | en_US |
| dc.identifier.startpage | 537 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
