The goal of our project is the development of theoretical methods for the determination and the prediction of the colours of a wide panel of dyes in various surroundings. Our method takes into account: (i) the solvent effects, (ii) the pH effects onto the lmax, (iii) authorize calculation of lmax of dyes complexed to a substrat.
|Effective start/end date||1/10/04 → 30/09/08|
- pH effects
- Solvents effects
- Electronic spectroscopy