In this work, we studied intermolecular aqueous clusters of biuret, an important urea
derivative. FTIR showed an increase in the intensity of absorption bands when water …

Copper (Cu) oxides with various oxidation states are known to be extremely active for
oxygen reduction/evolution reactions (ORR/OER). Here, Cu 2 O-based composites by …

Nanomaterials have attracted great interest in recent years due to their unique surface
properties. The high surface to volume ratio of these materials has significant implications …

Defects in perovskite films are still the dominant destroyer of both power conversion
efficiency (PCE) and long‐term stability in perovskite solar cells (PSCs). As the most popular …

The structure, spectroscopic features, and pharmaceutical effect of (E)-2-hydroxy-5-(((4-
sulfamoylphenyl) imino) methyl) benzoic acid (E7) has been studied by density functional …

Sulfamic acid is an essential reagent in organic chemistry. It is used in the synthesis of a
large number of substances used in many areas of industry. This study aims to …

Computational chemistry approach based on density functional theory (DFT) was utilized to
investigate the interaction, adsorption behaviour, electronic and structural properties of …

Herein, the aim of this work was to investigate the intermolecular interactions between
polyoxometalate (POMs) as a drug‐delivery system with nitrosourea at different sites: CH3 …

Due to the complicated nature of carbon dots (CDs), fluorescence mechanism of red
fluorescent CDs is still unrevealed and features highly controversial. Reliable and effective …

In this study, the effect of non-covalent interaction in the tapinarof–EtOH systems is
evaluated, particularly the hydrogen-bonding interaction using density functional theory in a …