CiteScore: 4.9     h-index: 21

A DFT and Molecular Dynamic (MD) Simulation on the Adsorption of Vidarabine as a Potential Inhibitor on the Al Metal surface
A DFT and Molecular Dynamic (MD) Simulation on the Adsorption of Vidarabine as a Potential Inhibitor on the Al Metal surface

Fater Iorhuna; Abdullahi Muhammad Ayuba; Thomas Aondofa Nyijime; Muhammad Shuaibu

Volume 6, Issue 4 , October 2023, , Pages 380-390

https://doi.org/10.48309/ajca.2023.409740.1390

Abstract
  In this study, DFT and molecular dynamic (MD) modeling were used to conduct a theoretical investigation of the potential inhibition of corrosion on Al by vidarabine. The local, global, ...  Read More
Quinazoline Derivatives as Corrosion Inhibitors on Aluminium Metal Surface: A Theoretical Study
Quinazoline Derivatives as Corrosion Inhibitors on Aluminium Metal Surface: A Theoretical Study

Fater Iorhuna; Abdulfatah Shehu Muhammad; Muhammad Abdullahi Ayuba

Volume 6, Issue 1 , January 2023, , Pages 71-84

https://doi.org/10.22034/ajca.2023.370123.1347

Abstract
  Quantum chemical calculations and molecular dynamics simulation techniques were used to assess the corrosion inhibition potential of the compound qiunazoline (QZN) and two of its derivatives, ...  Read More