Project Details
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.
| Acronym | Lmax-Abs |
|---|---|
| Status | Finished |
| Effective start/end date | 1/05/03 → 31/12/12 |
Keywords
- dyes
- PCM
- absorption wavelengths
- TD-DFT
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