Publikationen pro Jahr
Publikationen pro Jahr
- 10 Ergebnisse
Suchergebnisse
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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.Publikation: Konferenzbeitrag › 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.Publikation: Konferenzbeitrag › 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.Publikation: Konferenzbeitrag › Poster
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TD-DFT Calculation of Absorption and Emission Spectra in Solution of Tetracyanothiophene and Tetracyanopyrrole
Griesser, M., Kelterer, A-M. & Lukes, V., 2007.Publikation: Konferenzbeitrag › Poster
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Theoretical Calculations of the Photophysics of Tetracyano-p-phenylenediamine in Solution
Hofmann, O., Kelterer, A-M., Stickler, B., Lukes, V. & Palszegi, T., 2007.Publikation: Konferenzbeitrag › Poster
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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.Publikation: Konferenzbeitrag › Poster
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DFT calculation of photophysical properties of cyano-substituted p-phenylenediamine
Kelterer, A-M., 2006.Publikation: Konferenzbeitrag › Poster
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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, S. 519-536Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung
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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.Publikation: Konferenzbeitrag › Poster
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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.Publikation: Konferenzbeitrag › Poster