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 10 (12), pp. 5549 - 5566 (2014)

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

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 139, 234108, p. 234108 (2013)

Götze, J. P.; Thiel, W.: TD-DFT and DFT/MRCI study of electronic excitations in Violaxanthin and Zeaxanthin. Chemical Physics 415, pp. 247 - 255 (2013)

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 116 (28), pp. 8064 - 8073 (2012)

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 33 (28), pp. 2233 - 2242 (2012)

Götze, J. P.; Saalfrank, P.: Quantum chemical modeling of the kinetic isotope effect of the carboxylation step in RuBisCO. Journal of Molecular Modeling 18 (5), pp. 1877 - 1883 (2012)

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 109, pp. 12 - 19 (2012)