咔唑类衍生物密度泛函理论研究进展

Progress of Theoretical Studies on the Carbazole and Its Derivatives

简要介绍了咔唑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咔唑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 Carbazole and its derivatives were introduced in brief. Focusing on theoretical chemistry method in Carbazole 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.