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. 2016 Oct 7;22(11):260. doi: 10.1007/s00894-016-3108-8

Graphical Abstract.

Graphical Abstract

The article shows that the trends of the experimental dependencies λabs = f(Δf) and λem = f(Δf) well described by PBE0 (LR approach) and M06-2X (SS approach) calculations, respectively. The influence of substituents on the spectral characteristics of the BODIPY chromophore are analysed