Thioindigo dyes: highly accurate visible spectra with TD-DFT

D Jacquemin, J Preat, V Wathelet…

文献索引：Pummerer et al. Chemische Berichte, 1942 , vol. 75, p. 880

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被引用次数: 181

摘要

... For instance, Miehe et al. ... is built on the Perdew−Burke−Ernzerhof pure functional, 104 in which the exchange is weighted (75% DFT/25 ... and dimethylformamide) represented as a structureless material, characterized by its dielectric constant, radius, density, molecular volume, ... ...