TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes

标题
TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 7, Issue 6, Pages 1882-1892
出版商
American Chemical Society (ACS)
发表日期
2011-05-11
DOI
10.1021/ct200259k

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