Application of materials capable of energy harvesting to increase the efficiency and
environmental adaptability is sometimes reflected in the ability of discovery of some traces in …

New medicinally active chelates were prepared from Cu (II), VO (II), Ag (I) and Pd (II) ions
with N-(1H-Benzoimidazol-2-yl)-guanidine, BIG ligand. The ligand performed as bi-dentate …

The overexpression of cyclooxygenase-2 (COX-2) was clearly associated with
carcinogenesis, and COX-2 as a possible target has long been exploited for cancer therapy …

The present work focuses on the structural and antioxidant ability of the naturally occurring
flavonol Hibiscetin and its glycoside Hibiscitrin investigated in gas, water, and benzene …

Structural features and intramolecular interactions have been investigated with quantum
mechanical calculations using DFT at the B3LYP level using a 6-311G (d, p) basis set. The …

Considering the valuable position of organotins and the biotic role of phosphorus
compounds in biological processes, in this research work, we investigated and introduced a …

The eutectic mixture is a mixture of two or more components and freezes congruently and
helpful for many applications. In this work, we have designed the eutectic mixture using …

In this work, DFT calculations for the designed eutectic mixtures (EMs) using oxoazolidine 2,
4-dione (OZD) and zinc chloride (ZnCl2) are done. The interaction between the hydrogen …

Phenyl ethanol derivatives are well-known classes of drug molecules that play an important
role as effective substitute analogs to anticancer and antiviral agents. In this work …

This study employs density functional theory (DFT) approach with Gaussian-09 W and
Gauss view-05 programs, utilizing the DFT/B3LYP level of theory (method)/6–31 (d, p) basis …