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

Hormones regulate several physiological processes in living organisms, and their detection
requires accuracy and sensitivity. Recent advances in nanostructured electrodes for the …

Following an experimental work, we employed density functionals B3LYP, BHANDH,
HSE06, PBEPBE, and M06 to inspect the impact of In-doping on a ZnO nanosheet sensitivity …

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 …

DFT calculations are utilized to compare and contrast the substituted aluminum—
heterofullerenes, C 20-n Al n (with n= 1–5) from thermodynamically view point, at density …

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 …

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 …

This work mainly aimed to develop a sensor based on MgO nanotubes (MgONTs) to detect
thiopropamine (TP) using density functional theory (DFT). The abuse of drugs has major …

Various nanostructures are investigated mainly to discover their potential applications in
drug delivery for cancer treatment. In fact, the delivery of anti-cancer drugs to specific tumour …