Why Do TD-DFT Excitation Energies of BODIPY/Aza-BODIPY Families Largely Deviate from Experiment? Answers from Electron Correlated and Multireference Methods

标题
Why Do TD-DFT Excitation Energies of BODIPY/Aza-BODIPY Families Largely Deviate from Experiment? Answers from Electron Correlated and Multireference Methods
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 11, Issue 6, Pages 2619-2632
出版商
American Chemical Society (ACS)
发表日期
2015-05-04
DOI
10.1021/ct500775r

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