篇名 | Corrosion Inhibition of Aluminium in Gas and Acid Media by Some Chalcone-Based N-(3-Aminopropyl)Imidazoles: TD-DFT-Based FMO, Conceptual DFT, QTAIM and EDA Studies | ||
来源期刊 | 计算化学(英文) | 学科 | 化学 |
关键词 | Density Functional Theory Anticorrosion Inhibitor-Aluminium Interactions Quantum Theory of Atoms-in-Molecules Local Energy Decomposition Analysis | ||
年,卷(期) | 2021,(1) | 所属期刊栏目 | |
研究方向 | 页码范围 | 37-63 | |
页数 | 27页 | 分类号 | O62 |
字数 | 语种 | ||
DOI |