摘要
简要介绍了吲哚类衍生物密度泛函理论研究进展,重点评述理论化学方法在吲哚类衍生物的理化性质、计算方法以及化合物结构和性质的主要影响,并介绍了目前这类化合物最常出现的部分理论化学方法。
The progress of the DFT theoretical studies on the complexes of indole and its derivatives were introduced in brie~ focusing on theoretical chemistry method in indole derivatives physicochemical properties, calculation method and the main effects on the structure and properties of compounds, and introduces the most frequently at present this kind of compounds of theoretical chemical methods.
出处
《广东化工》
CAS
2014年第8期80-81,83,共3页
Guangdong Chemical Industry
基金
国家自然基金项目(21103147)资助项目
关键词
吲哚
密度泛函
结构
理论化学方法
indole: DFT: stucture
theoretical chemical methods