New QSPR model for prediction of corrosion inhibition using conceptual density functional theory
Rosa L. Camacho-Mendoza, Leticia Feria, Luis Ángel Zárate-Hernández, José G. Alvarado‐Rodríguez, Julián Cruz‐Borbolla
Topics & Concepts
Quantitative structure–activity relationshipDensity functional theoryQuinolineCorrosionPyridineComputational chemistryChemistryLinear regressionAdsorptionBiological systemThermodynamicsMaterials scienceMathematicsStereochemistryPhysical chemistryOrganic chemistryPhysicsStatisticsBiologyCorrosion Behavior and InhibitionComputational Drug Discovery MethodsCrystallography and molecular interactions