Small donor molecules based on fused ring acceptors exhibit encouraging photovoltaic
properties and expeditious advancement in organic solar cells. Central core modification of …

Emission of harmful pollutants from different sources into the environment is a major
problem nowadays. Organochlorine pesticides such as DDT (C14H9Cl5) are toxic, bio …

The development of efficient B12N12-based toxic gas sensors has received considerable
attention from the scientific community. Thus, in this regard, quantum chemical calculations …

A novel quinoline derivative,(E)-N-phenyl-4-((quinoli-4-ylmethylene) amino) aniline (PQYA),
was synthesized using a previously reported approach with 80% yield. Single X-ray …

A series of boron nitride/3, 4, 9, 10-Perylenetetracarboxylic dianhydride (BN/PDI) materials
have been synthesized as well as their adsorption and photodegradation efficiency for …

This work studied the adsorption of nitrogen monoxide gas on Cu-modified B12N12
nanocage as a chemical sensor application. We performed quantum chemical calculations …

The development of sensors for hazardous gases based on metal-modified B12N12
nanocages has attracted the attention of researchers. In this theoretical study, the …

The packing fashion of an organic molecule in the crystal plays a critical role in the global
nonlinear optical (NLO) responses under ambient conditions. To better understand how the …

Polarizability and hyperpolarizability values from the theoretical studies provided evidence
that the material can be employed as an efficient nonlinear optical (NLO) material. The z …

Herein, we report the structural, electronic, and charge transfer properties of N‐[5′‐methyl‐
3′‐isoxasolyl]‐N‐[(E)‐1‐(‐2‐thiophene)] methylidene] amine (L) and its Fe2+, Co2+, Ni2+ …