**6. Conclusions**

In this chapter, we discussed the theoretical and molecular modeling of organic compounds as corrosion inhibitors. The inhibition behavior of organic compounds was analyzed by density functional theory (DFT), Molecular dynamic simulation (MD), Monte Carlo (MC) simulations, quantitative structure-activity relationship (QSAR) modeling, etc. The computational chemistry studies of organic compounds as corrosion inhibitor save time and money. This approach is environmental friendly as there is no need for synthesis of organic compounds.

*Introduction to Corrosion – Basics and Advances*
