Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: A combined DFT and MD simulation study

标题
Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium: A combined DFT and MD simulation study
作者
关键词
Mild steel, Acid inhibition, DFT study, MD simulation
出版物
JOURNAL OF MOLECULAR LIQUIDS
Volume 224, Issue -, Pages 629-638
出版商
Elsevier BV
发表日期
2016-10-02
DOI
10.1016/j.molliq.2016.09.110

向作者/读者发起求助以获取更多资源

Reprint

联系作者

Create your own webinar

Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.

Create Now

Ask a Question. Answer a Question.

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started