Research output per year
Research output per year
Project Details
Description
Quantum chemical ab initio and density functional calculations allow the prediction and interpretation of the photophysics
of organic compounds in the gas phase and in solution
in connection with absorption and emission spectroscopy.
| Status | Finished |
|---|---|
| Effective start/end date | 1/01/95 → 31/12/23 |
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Absorption Spectra Simulation for Small Donor-Acceptor Molecules using TD-DFT and DFT-B Molecular Dynamics
Kelterer, A-M., Lukes, V., Barbatti, M., Hofmann, O., Griesser, M., Stickler, B. & Lischka, H., 2007.Research output: Contribution to conference › Poster
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Absorption Spectra Simulation for Small Donor-Acceptor Molecules with Density Function Method
Kelterer, A-M., Lukes, V., Barbatti, M., Hofmann, O., Griesser, M., Stickler, B. & Lischka, H., 2007.Research output: Contribution to conference › Poster
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DFT Simulation of the Absorption Spectrum of Tetracyano-p-phenylenediamine in Gas Phase and Solution
Stickler, B., Kelterer, A-M., Hofmann, O., Lukes, V., Barbatti, M. & Lischka, H., 2007.Research output: Contribution to conference › Poster