One of the many possible ways to capture carbon dioxide (CO2) is through electrochemical
means. This is an emerging approach with various merits. It is energy efficient, utilizes …

Abstract A new Fe3O4/Mo-MOF (metal–organic framework) magnetic nano polymer was
synthesized in one step and Ultrasound assisted. Fe3O4/Mo-MOF magnetic nano polymer …

Molecular modeling shows potential applications for calculating physical as well as
chemical parameters of many molecular systems. Physical parameters such as HOMO …

The 3'-azido-3'-deoxythymidine, which is termed AZT, was introduced as anti-human
immunodeficiency virus HIV. AZT is supposed to interact with water molecules forming two …

This study utilises a combination of density functional theory (DFT) approach, 6-31G (d, p)
basis set, and Monte Carlo (MC) simulations. The goal is to understand the relationship …

The electrical properties of graphene doped with graphite and N-pyridine and their
interaction with K+ ions have been studied using the density-functional based tight-binding …

The aim of this study was to evaluate the biological activity of some pyridine derivatives
(compounds 1 to 15) on perfusion pressure in an isolated rat heart model. Furthermore …

Molecular modeling is applying computer software to describe the molecular systems. This
leads to understating many systems and structures in chemical, biological systems …

ABSTRACT A kaolinite-dimethylaminopyridine (DMAP) intercalation compound (Kaol-
DMAP) was prepared for the first time by intercalation reaction of DMAP using an …

ABSTRACT A kaolinite-4-dimethylaminopyridine (DMAP) intercalation compound was
prepared for the first time. In addition to the galley height with 0.70 nm, the intercalated …