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Modellierung biomolekularer SystemePublikationen

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Publikationen

1996

Vibrational properties of InSe under pressure: Experiment and theory

Ulrich, C., Mroginski, M. A., Goni, A. R., Cantarero, A., Schwarz, U., Munoz, V. and Syassen, K.

Physica Status Solidi B-Basic Research 198, 121–127. 1996

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1999

Vibrational analysis of model compounds for the tetrapyrrole chromophore in phytochrome

Mroginski, M. A., Della Vedova, C. O., Nemeth, K., Kneip, C., Hildebrandt, P. and Mark, F.

Spectroscopy Of Biological Molecules: New Directions , 171–172. 1999

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Metal-insulator phase transitions of SmNiO3 and PrNiO3: Electrons in a polaronic medium

Mroginski, M. A., Massa, N. E., Salva, H., Alonso, J. A. and Martinez-Lope, M. J.

Physical Review B 60, 5304–5311. 1999

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2000

Calculation of the vibrational spectra of linear tetrapyrroles. 2. Resonance Raman spectra of hexamethylpyrromethene monomers

Mroginski, M. A., Nemeth, K., Magdo, I., Muller, M., Robben, U., Della Vedova, C., Hildebrandt, P. and Mark, F.

Journal Of Physical Chemistry B 104, 10885–10899. 2000

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2003

Excited state geometry calculations and the resonance Raman spectrum of hexamethylpyrromethene

Mroginski, M. A., Kneip, C., Hildebrandt, P. and Mark, F.

Journal Of Molecular Structure 661, 611–624. 2003

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2004

Determination of the chromophore structures in the photoinduced reaction cycle of phytochrome

Mroginski, M. A., Murgida, D. H., von Stetten, D., Kneip, C., Mark, F. and Hildebrandt, P.

Journal Of The American Chemical Society 126, 16734–16735. 2004

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2005

Light-induced proton release of phytochrome is coupled to the transient deprotonation of the tetrapyrrole chromophore

Borucki, B., von Stetten, D., Seibeck, S., Lamparter, T., Michael, N., Mroginski, M. A., Otto, H., Murgida, D. H., Heyn, M. P. and Hildebrandt, P.

Journal Of Biological Chemistry 280, 34358–34364. 2005

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Calculation of vibrational spectra of linear tetrapyrroles. 3. Hydrogen-bonded hexamethylpyrromethene dimers

Mroginski, M. A., Nemeth, K., Bauschlicher, T., Klotzbucher, W., Goddard, R., Heinemann, O., Hildebrandt, P. and Mark, F.

Journal Of Physical Chemistry A 109, 2139–2150. 2005

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2006

Calculation of vibrational spectra of linear tetrapyrroles. 4. Methine bridge C-H out-of-plane modes

Mroginski, M. A., Murgida, D. H. and Hildebrandt, P.

Journal Of Physical Chemistry A 110, 10564–10574. 2006

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2007

Quantum mechanics/molecular mechanics calculation of the Raman spectra of the phycocyanobilin chromophore in alpha-c-phycocyanin

Mroginski, M. A., Mark, F., Thiel, W. and Hildebrandt, P.

Biophysical Journal 93, 1885–1894. 2007

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