Computational analysis of the corrosion inhibition potential of isovitexin: A combined DFT and MD simulation study on aluminum alloy protection
{{output}}
In this study, Density Functional Theory (DFT), Molecular Dynamics (MD) simulations, Natural Bond Orbital (NBO), and topological analyses were employed to evaluate the corrosion inhibition performance of isovitexin on AA2024 aluminum alloy in acidic media. Qua... ...
