Project Details
Description
Using Time-Dependent Density Functional Theory, we predict the fluorescence wavelengths of industrial dyes, such as coumarins, diazos and naphtalimides. These calculations are performed both in gas-phase and solution. Vibronic and temperature effects are also simulated.
| Acronym | Tournesol-07 |
|---|---|
| Status | Finished |
| Effective start/end date | 1/12/06 → 31/12/08 |
Keywords
- Fluorescence
- TD-DFT
- naphthalimides
- solvation
- vibronic coupling
- coumarins
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