Publications of Markus Doerr

Journal Article (8)

2016
Journal Article
Bettinger, H. F.; Tönshoff, C.; Doerr, M.; Sanchez-Garcia, E. Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study. Journal of Chemical Theory and Computation 2016, 12, 305–312.
2012
Journal Article
Sun, Q.; Li, Z.; Lan, Z.; Pfisterer, C.; Doerr, M.; Fischer, S.; Smith, S. C.; Thiel, W. Isomerization Mechanism of the HcRed Fluorescent Protein Chromophore. Physical Chemistry Chemical Physics 2012, 14, 11413–11424.
2010
Journal Article
Hsiao, Y.-W.; Sánchez-García, E.; Doerr, M.; Thiel, W. Quantum Refinement of Protein Structures: Implementation and Application to the Red Fluorescent Protein DsRed.M1. Journal of Physical Chemistry B 2010, 114, 15413–15423.
Journal Article
Parac, M.; Doerr, M.; Marian, C. M.; Thiel, W. QM/MM Calculation of Solvent Effects on Absorption Spectra of Guanine. Journal of Computational Chemistry 2010, 31, 90–106.
Journal Article
Sánchez-García, E.; Doerr, M.; Thiel, W. QM/MM Study of the Absorption Spectra of DsRed.M1 Chromophores. Journal of Computational Chemistry 2010, 31, 1603–1612.
Journal Article
Sun, Q.; Doerr, M.; Li, Z.; Smith, S. C.; Thiel, W. QM/MM Studies of Structural and Energetic Properties of the Far-Red Fluorescent Protein HcRed. Physical Chemistry Chemical Physics 2010, 12, 2450–2458.
2009
Journal Article
Daza, M. C.; Doerr, M.; Salzmann, S.; Marian, C. M.; Thiel, W. Photophysics of Phenalenone: Quantum-Mechanical Investigation of Singlet-Triplet Intersystem Crossing. Physical Chemistry Chemical Physics 2009, 11, 1688–1696.
Journal Article
Sánchez-García, E.; Doerr, M.; Hsiao, Y.-W.; Thiel, W. QM/MM Study of the Monomeric Red Fluorescent Protein DsRed.M1. Journal of Physical Chemistry B 2009, 113, 16622–16631.
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