Accurate modeling of the absorption spectrum of organic compounds

Project: Research

Description

Using time-dependent density functional theory and polarizable continuum models, we develop models allowing a fast and accurate prediction of the absorption wavelengths of organic derivatives.
AcronymLmax-Abs
StatusFinished
Effective start/end date1/05/0331/12/12

Keywords

  • dyes
  • PCM
  • absorption wavelengths
  • TD-DFT