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Conceptual DFT Descriptors of Amino Acids with Potential Corrosion Inhibition Properties Calculated with the Latest Minnesota Density Functionals

Amino acids and peptides have the potential to perform as corrosion inhibitors. The chemical reactivity descriptors that arise from Conceptual DFT for the twenty natural amino acids have been calculated by using the latest Minnesota family of density functionals. In order to verify the validity of t...

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Bibliographic Details
Published in:Front Chem
Main Authors: Frau, Juan, Glossman-Mitnik, Daniel
Format: Artigo
Language:Inglês
Published: Frontiers Media S.A. 2017
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5352669/
https://ncbi.nlm.nih.gov/pubmed/28361050
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2017.00016
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