Research output per year
Research output per year
Project Details
Description
Quantum chemical computation and simulation of the absorption and emission spectra of cyano-substituted benzenoid and heterocyclic compounds of thiophene and pyrrole derivatives.
| Status | Finished |
|---|---|
| Effective start/end date | 1/01/06 → 30/06/08 |
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Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
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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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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
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Molecular Dynamics Study of the Solvatochromism of Tetracyano-p-phenylenediamine Molecule
Solc, R., Lukes, V., Klein, E., Hofmann, O. & Kelterer, A-M., 26 Sept 2007.Research output: Contribution to conference › (Old data) Lecture or Presentation