Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method
Lei GuoChinaQI Cheng-weiChinaXingwen ZhengChinaRenhui ZhangChinaXun ShenChinaSavaş KayaCumhuriyet University
2017en
ABI
Аннотация
Compared with the conventional DFT approach, SCC-DFTB method is more effective to deal with the adsorption issues of large size organic corrosion inhibitors on metal surface.
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