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Erschienen in:
An Introduction to Electron Localization-Delocalization Matrices Kapitel lesen Erstes Kapitel lesen

2024 | OriginalPaper | Buchkapitel

7. Localization-Delocalization Matrices Analysis for Corrosion Inhibition

verfasst von : Chérif F. Matta, Paul W. Ayers, Ronald Cook

Erschienen in: Electron Localization-Delocalization Matrices

Verlag: Springer International Publishing

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Abstract

In this chapter, three case studies will be presented illustrating how to use electron localization-delocalization matrices (LDMs) analysis in the prediction of corrosion inhibitors’ activities. Furthermore, the analysis is shown to go beyond the mere prediction of activity to deepen our mechanistic understanding by uncovering the active molecular species (e.g., the protonation state or dimerization state) that are responsible for a given compound’s activity in inhibiting corrosion.

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Vorheriges Kapitel Principal Component Analysis of Localization-Delocalization Matrices
Nächstes Kapitel Localization-Delocalization Matrices Analysis in Predicting Mosquito Repellency
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Metadaten
Titel
Localization-Delocalization Matrices Analysis for Corrosion Inhibition
verfasst von
Chérif F. Matta
Paul W. Ayers
Ronald Cook
Copyright-Jahr
2024
Buch
Electron Localization-Delocalization Matrices

Print ISBN: 978-3-031-51432-6

Electronic ISBN: 978-3-031-51434-0

Copyright-Jahr: 2024

DOI
https://doi.org/10.1007/978-3-031-51434-0_7

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