Corrosion inhibition properties of small peptides: DFT and Monte Carlo simulation studies
Anton Kasprzhitskii, Georgy Lazorenko
Topics & Concepts
TripeptideChemistryChemisorptionAdsorptionDipeptideAlanineAmino acidProtonationDensity functional theoryPeptideComputational chemistryMonte Carlo methodCrystallographyStereochemistryPhysical chemistryOrganic chemistryBiochemistryIonStatisticsMathematicsCorrosion Behavior and InhibitionMaterial Properties and Failure Mechanismsnanoparticles nucleation surface interactions