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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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Elucidating photoinduced structural changes in phytochromes by the combined application of resonance Raman spectroscopy and theoretical methods

Mroginski, M. A., von Stetten, D., Kaminski, S., Escobar, F. V., Michael, N., Daminelli-Widany, G. and Hildebrandt, P.

JOURNAL OF MOLECULAR STRUCTURE 993, 15-25. 2011

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Spectroscopic, Structural, and Conformational Properties of (Z)-4,4, 4-Trifluoro-3-(2-hydroxyethylamino)-1-(2-hydroxypheny1)-2-buten-1-one, C12H12F3NO3: A Trifluoromethyl-Substituted beta-Aminoenone

Hidalgo, A., Avendano Jimenez, L. P., Ramos, L. A., Mroginski, M. A., Jios, J. L., Ulic, S. E., Echeverria, G. A., Piro, O. E. and Castellano, E.

JOURNAL OF PHYSICAL CHEMISTRY A 116, 1110-1118. 2012

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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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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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Infrared Spectrum of Phosphoenol Pyruvate: Computational and Experimental Studies

Rudbeck, M. E., Kumar, S., Mroginski, M. A., Lill, S. O. N., Blomberg, M. R. A. and Barth, A.

Journal Of Physical Chemistry A 113, 2935–2942. 2009

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The Protonation State of Glu181 in Rhodopsin Revisited: Interpretation of Experimental Data on the Basis of QM/MM Calculations

Fraehmcke, J. S., Wanko, M., Phatak, P., Mroginski, M. A. and Elstner, M.

JOURNAL OF PHYSICAL CHEMISTRY B 114, 11338-11352. 2010

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Structure of the Chromophore Binding Pocket in the Pr State of Plant Phytochrome phyA

Mroginski, M. A., Kaminski, S., von Stetten, D., Ringsdorf, S., Gaertner, W., Essen, L.-O. and Hildebrandt, P.

JOURNAL OF PHYSICAL CHEMISTRY B 115, 1220-1231. 2011

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