Absorption spectra of azobenzenes simula
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Denis Jacquemin; Julien Preat; Eric A. Perpète; Daniel P. Vercauteren; Jean-Mari
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Article
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2011
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John Wiley and Sons
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English
β 253 KB
## Abstract Using timeβdependent density functional theory and the polarizable continuum model, we have simulated the absorption spectra of an extended series of azobenzene dyes. First, we have determined a theoretical level optimal for this important class of dyes, and it turned out that a CβPCMβC