Quantum Chemistry: Photophysical Properties of Organic Compounds

Research output

Research output per year 2005 2005 2007 2007

• 9 Poster
• 1 Article

Research output per year

Research output per year

Search results

• 2007

  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

• 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

• 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

• TD-DFT Calculation of Absorption and Emission Spectra in Solution of Tetracyanothiophene and Tetracyanopyrrole

  Griesser, M., Kelterer, A-M. & Lukes, V., 2007.

  Research output: Contribution to conference › Poster

• Theoretical Calculations of the Photophysics of Tetracyano-p-phenylenediamine in Solution

  Hofmann, O., Kelterer, A-M., Stickler, B., Lukes, V. & Palszegi, T., 2007.

  Research output: Contribution to conference › Poster
• 2006

  DFT and Semiempirical Investigation of Absorption and Emission Spectra of p-Phenylenediamine Derivatives

  Hofmann O. T., N. V., Kelterer, A-M., Grilj J., N. V., Rosspeintner A., N. V. & Lukes, V., 2006.

  Research output: Contribution to conference › Poster

• DFT calculation of photophysical properties of cyano-substituted p-phenylenediamine

  Kelterer, A-M., 2006.

  Research output: Contribution to conference › Poster
• 2005

  ESR and ENDOR Investigations on Various Wurster's Radical Cations in Solution. Experimental Results, Theoretical ab initio, and DFT Calculations

  Grampp, G., Kelterer, A-M., Landgraf, S., Sacher, M., Niethammer, D., Telo, J. P., Dias, R. M. B. & Vieira, A. J. S. C., 2005, In: Monatshefte für Chemie - Chemical Monthly. 136, p. 519-536

  Research output: Contribution to journal › Article › peer-review

• Experimental and Theoretical Study of the Photophysics of 2,6-dicyano-N,N,N’,N’-tetramethyl-p-phenylenediamine

  Angulo Nunez, G. M., Grampp, G., Kelterer, A-M., Landgraf, S., Rosspeintner, A. & Weiglhofer, M., 2005.

  Research output: Contribution to conference › Poster

• Time-depentent Density Funtional Method versus CEO Method: a comparison for the optical excitation in dicyano-p-phenylenediamine

  Kelterer, A-M., Lukes, V. & Palszegi, T., 2005.

  Research output: Contribution to conference › Poster