Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties
By L. Rodríguez-Valdez, A. Martínez-Villafañe, D. Glossman‐Mitnik. 2005
162 citations recorded by the source corpus.
Subfields: Environmental Chemistry, Materials Chemistry, Organic Chemistry
View Paper: https://www.semanticscholar.org/paper/b543b7d7fa2d324561184b1062c8969fdc769ef8
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In Materials Chemistry
In Organic Chemistry
Citations in the corpus
- Molecular dynamics and density functional theory study on relationship between structure of imidazoline derivatives and inhibition performance (2008, background): “For the last decades, quantum chemistry has become an effective way to study the correlation of the molecular structure and its inhibition properties and much achievement was reached, human’s knowledge of mechanism of corrosion inhibition penetrates to the microscopic level [1–5].”