What is experimental 0-0 energies?

Samaneh Bagheri novir @Samaneh_Bagheri_Novir

12 December 2013 1 7K Report

How can we obtain "experimental E00"? I know E00 can be a result from DFT and TDDFT calculation: E00= E adia -DE ZPVE. But I do not know what is experimental E00 and how I can calculate it.

Marat Talipov

Dear Samaneh, E00 is much easier to estimate experimentally than by quantum chemistry methods. This paper: dx.doi.org/10.1021/ct301107m covers some important topics related to comparison of computational/experimental spectra; I hope it will help.

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