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Comparative theoretical study on the corrosion inhibition properties of benzoxazole and benzothiazole |
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| Authors: | Guo L. Zhang S. T. Lv T. M. Feng W. J. |
| Affiliation: | 1.School of Chemistry and Chemical Engineering, Chongqing University, Chongqing, 400044, China ;2.College of Physics Science and Technology, Shenyang Normal University, Shenyang, 110034, China ; |
| Abstract: | Research on Chemical Intermediates - The electronic parameters of two azole molecules, namely benzoxazole (BOX) and benzothiazole (BTH), have been studied using DFT/B3LYP, MP2, and HF methods with... |
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