The TDDFT Excitation Energies of the BODIPYs; The DFT and TDDFT Challenge Continues

The derivatives of 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) are pivotal ingredients for a large number of functional, stimuli-responsive materials and therapeutic molecules based on their photophysical properties, and there is a urgent need to understand and predict their optical traits p...

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出版年:	Molecules
主要な著者:	Adrien Schlachter, Alexandre Fleury, Kevin Tanner, Armand Soldera, Benoit Habermeyer, Roger Guilard, Pierre D. Harvey
フォーマット:	論文
言語:	英語
出版事項:	MDPI AG 2021-03-01
主題:	BODIPY DFT TDFT
オンライン･アクセス:	https://www.mdpi.com/1420-3049/26/6/1780