Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron Article

Kaya, Savas, Guo, Lei, Kaya, Cemal et al. (2016). Quantum chemical and molecular dynamic simulation studies for the prediction of inhibition efficiencies of some piperidine derivatives on the corrosion of iron . 65 522-529. 10.1016/j.jtice.2016.05.034



International Collaboration

cited authors

  • Kaya, Savas; Guo, Lei; Kaya, Cemal; Tuzun, Burak; Obot, IB; Touir, Rachid; Islam, Nazmul

fiu authors

publication date

  • August 1, 2016

webpage

keywords

  • ADSORPTION
  • BASES
  • Corrosion inhibition
  • DENSITY-FUNCTIONAL THEORY
  • ELECTRONEGATIVITY
  • ELECTROPHILICITY INDEX
  • Engineering
  • Engineering, Chemical
  • HARDNESS
  • Iron
  • MILD-STEEL
  • Molecular dynamic simulation
  • NITROGEN
  • PRINCIPLE
  • Piperidine derivatives
  • Quantum chemical calculations
  • SOFT ACIDS
  • Science & Technology
  • Technology

Digital Object Identifier (DOI)

start page

  • 522

end page

  • 529

volume

  • 65