Assessing corrosion inhibition characteristics of hydrazone derivatives on mild steel in HCl: Insights from electronic-scale DFT and atomic-scale molecular dynamics

Title
Assessing corrosion inhibition characteristics of hydrazone derivatives on mild steel in HCl: Insights from electronic-scale DFT and atomic-scale molecular dynamics
Authors
Keywords
Hydrazone derivative, Molecular dynamics, Corrosion inhibition, Mean square displacement, DFT, Fukui function
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 308, Issue -, Pages 112998
Publisher
Elsevier BV
Online
2020-03-28
DOI
10.1016/j.molliq.2020.112998

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