Search
Now showing items 1-2 of 2
Computational investigations of trans platinum(II) oxime complexes used as anticancer drug
(PERGAMON-ELSEVIER SCIENCE LTD, 2018)
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 ...
Investigation of anticancer properties of caffeinated complexes via computational chemistry methods
(PERGAMON-ELSEVIER SCIENCE LTD, 2018)
Computational investigations were performed for 1,3,7-trimethylpurine-2,6-dione, 3,7-dimethylpurine-2,6-dione, their Ru(II) and Os(III) complexes. B3LYP/6-311 ++G(d,p)(LANL2DZ) level was used in numerical calculations. ...