Computational Modeling: Theoretical Predictive Tools for Designing of Potential Organic Corrosion Inhibitors
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Title
Computational Modeling: Theoretical Predictive Tools for Designing of Potential Organic Corrosion Inhibitors
Authors
Keywords
Computational modelings, Simulations, Corrosion inhibition, Structural effect, Mixed type, DFT, MD and MC simulations
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1236, Issue -, Pages 130294
Publisher
Elsevier BV
Online
2021-03-20
DOI
10.1016/j.molstruc.2021.130294
References
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