Publications of Jan Philipp Götze

Karasulu, B.; Götze, J. P.; Thiel, W. Assessment of Franck–Condon Methods for Computing Vibrationally Broadened UV–Vis Absorption Spectra of Flavin Derivatives: Riboflavin, Roseoflavin, and 5-Thioflavin. Journal of Chemical Theory and Computation 2014, 10, 5549–5566.

Götze, J.; Kröner, D.; Banerjee, S.; Karasulu, B.; Thiel, W. Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy Flow. ChemPhysChem 2014, 15, 3392–3401.

Götze, J. P.; Karasulu, B.; Thiel, W. Computing UV/Vis Spectra from the Adiabatic and Vertical Franck-Condon Schemes with the Use of Cartesian and Internal Coordinates. The Journal of Chemical Physics 2013, 139, 234108.

Götze, J. P.; Thiel, W. TD-DFT and DFT/MRCI Study of Electronic Excitations in Violaxanthin and Zeaxanthin. Chemical Physics 2013, 415, 247–255.

Hsiao, Y.-W.; Götze, J.; Thiel, W. The Central Role of Gln63 for the Hydrogen Bonding Network and UV-Visible Spectrum of the AppA BLUF Domain. The Journal of Physical Chemistry B 2012, 116, 8064–8073.

Götze, J.; Greco, C.; Mitrić, R.; Bonačić-Koutecky, V.; Saalfrank, P. BLUF Hydrogen Network Dynamics and UV/Vis Spectra: A Combined Molecular Dynamics and Quantum Chemical Study. Journal of Computational Chemistry 2012, 33, 2233–2242.

Götze, J. P.; Saalfrank, P. Quantum Chemical Modeling of the Kinetic Isotope Effect of the Carboxylation Step in RuBisCO. Journal of Molecular Modeling 2012, 18, 1877–1883.

Kröner, D.; Götze, J. P. Modeling of a Violaxanthin-Chlorophyll b Chromophore Pair in its LHCII Environment Using CAM-B3LYP. Journal of Photochemistry and Photobiology B: Biology 2012, 109, 12–19.