DFT Study of 3-[2-(4-chloro-phenyl)-2-oxo-ethyl]-5-(2,4-dichloro-thiazole-5-yl-methylenyl)thiazolidine-2,4-dione as antifungal agent [ READ ]
Ilkay Yildiz, Oya Bozdag-Dundar
The molecular structure of 3-[2-(4-chloro-phenyl)-2-oxo-ethyl]-5-(2,4-dichloro-thiazole-5-yl-methylenyl)thiazolidine-2,4-dione as an antifungal agent against Candida albicans in the ground state was optimized by density functional using Becke’s three-parameter hybrid method with the Lee, Yang, and Parr correlation functional method with 3-21G(d,p) basis sets. The calculated geometric parameters were compared with obtained experimental results.
Ilkay Yildiz, Oya Bozdag-Dundar
The molecular structure of 3-[2-(4-chloro-phenyl)-2-oxo-ethyl]-5-(2,4-dichloro-thiazole-5-yl-methylenyl)thiazolidine-2,4-dione as an antifungal agent against Candida albicans in the ground state was optimized by density functional using Becke’s three-parameter hybrid method with the Lee, Yang, and Parr correlation functional method with 3-21G(d,p) basis sets. The calculated geometric parameters were compared with obtained experimental results.
