The molecular electrostatic potential (MESP) V (r) data derived from a reliable quantum
chemical method has been widely used for the interpretation and prediction of various …

In this perspective, we review some recent advances in the concept of atoms-in-molecules
from a real space perspective. We first introduce the general formalism of atomic weight …

Recently, research has become increasingly concerned with removing cationic synthetic
dyes from the environment because of their aromatic rings and ecological stability, which …

The article divulges the crystal growth, synthesis, and X-ray structure characterization of one
centrosymmetric cadmium complex,[Cd {CdL (μ 2-1, 3-acetate)} 2] using Salen ligand (SL) …

Ammonium sulfamate is an important sulfamic acid derivative. It has found wide application
as a herbicide, fire-resistant agent, etc. In this work, we investigated intermolecular aqueous …

In this study, we report on the green fluorescence exhibited by nitrobenzofurazan-sulfide
derivatives (NBD-S i, i= 1–4). The optical responses of these studied compounds in a polar …

A sulfamic acid-urea mixture deep eutectic solvent has been intensively investigated in the
last few years as an agent for sulfating natural substances alternative to toxic complexes of …

The electronic, photo-physical, and nonlinear optical (NLO) properties of small molecules
from nitrobenzofurazan (NBD) derivatives have been fine-tuned through the introduction of …

This study probes the potential use of 12 naturally occurring Flavylium-based cations as non-
fullerene acceptors (NFAs) in organic solar cells (OSCs). Performing density functional …

The development of environmentally friendly corrosion inhibitors is becoming more popular
since conventional inhibitors are poisonous and non-biodegradable. The anti-corrosive …