Computational dye design by changing the conjugation order: Failure of LR-TDDFT to predict relative excitation energies in organic dyes differing by the position of the methine unit

标题
Computational dye design by changing the conjugation order: Failure of LR-TDDFT to predict relative excitation energies in organic dyes differing by the position of the methine unit
作者
关键词
-
出版物
CHEMICAL PHYSICS LETTERS
Volume 527, Issue -, Pages 51-56
出版商
Elsevier BV
发表日期
2012-01-15
DOI
10.1016/j.cplett.2011.12.079

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