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Publikationen

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Vibrational Raman Spectra from the Self-Consistent Charge Density Functional Tight Binding Method via Classical Time-Correlation Functions

Kaminski, S., Gaus, M., Phatak, P., von Stetten, D., Elstner, M. and Mroginski, M. A.

Journal of Chemical Theory and Computation 6, 1240-1255. 2010

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Switchable Redox Chemistry of the Hexameric Tyrosine-Coordinated Heme Protein

Kielb, P., Utesch, T., Kozuch, J., Jeoung, J.-H., Dobbek, H., Mroginski, M. A., Hildebrandt, P. and Weidinger, I.

JOURNAL OF PHYSICAL CHEMISTRY B 121, 3955-3964. 2017

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Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions

Kozlowska, M., Rodziewicz, P., Utesch, T., Mroginski, M. A. and Kaczmarek-Kedziera, A.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20, 8629-8639. 2018

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Spectroelectrochemical Study of the [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F in Solution and Immobilized on Biocompatible Gold Surfaces

Millo, D., Pandelia, M.-E., Utesch, T., Wisitruangsakul, N., Mroginski, M. A., Lubitz, W., Hildebrandt, P. and Zebger, I.

The Journal of Physical Chemistry B 113, 15344-15351. 2009

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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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Raman Spectra of the Phycoviolobilin Cofactor in Phycoerythrocyanin Calculated by QM/MM Methods

Mroginski, M. A., Kaminski, S. and Hildebrandt, P.

CHEMPHYSCHEM 11, 1265-1274. 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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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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