We, the Editor and Publisher of the journal Molecular Simulation, have retracted the
following article: Dmitry Olegovich Bokov, Abduladheem Turki Jalil, Forat H. Alsultany …

In this research, we studied the most stable configurations, electronic properties, and
interactions between pristine and Al-and Si-doped boron nitride nanosheet BNNS and the …

In this research, the adsorption behavior of pristine, Si-and Ga-and Al-doped graphene is
investigated toward ethionamide (EA) using Density Functional Theory (DFT) calculations …

During environmental testing, scientists face the problem of developing and designing a
new type of sensor electrode with distinguished stability, high activity, and cost-effectiveness …

Exergy analysis is a tool to determine the share of processes involved in transferring input
functionality to the system and where the useful energy loss occurs in a system or process …

Sumanene molecule with highly symmetric (C3V) is polycyclic aromatic hydrocarbons. In
this work, we report a quantum chemical calculation on the considered complexes, which …

Over the past decade, a number of studies have been undertaken to develop novel carbon
(C)-based anodes in calcium (Ca)-ion batteries. Researchers considered two-dimensional …

The structural properties, electronic properties, and adsorption abilities of carbon nanocones
doped with metallophthalocyanines (TM-PhCCNC, TM= Sc 2+, Cr 2+, Fe 2+ and Zn 2+) over …

Recently, chiral and nonplanar cutouts of graphene have been the favorites due to their
unique optical, electronic, and redox properties and high solubility compared with their …

Topological descriptors are non-empirical numerical quantities that describe molecular
structures. These descriptors are fundamental to the QSAR/QSPR techniques that lay the …