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The Journal of Chemical Physics|October 27, 2016
Towards understanding photomigration: Insights from atomistic simulations of azopolymer films explicitly including light-induced isomerization dynamicsMarcus Böckmann, Nikos L DoltsinisChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 17, 2012
Unfolding a photoswitchable azo-foldamer reveals a non-covalent reaction mechanismSebastian Braun, Marcus Böckmann, Dominik MarxPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 15, 2008
Azobenzene photoswitches in bulk materialsMarcus Böckmann, Nikos L Doltsinis, Dominik MarxThe Journal of Chemical Physics|December 20, 2012
Enhanced photoswitching of bridged azobenzene studied by nonadiabatic ab initio simulationMarcus Böckmann, Nikos L Doltsinis, Dominik MarxThe Journal of Physical Chemistry. A|November 26, 2009
Nonadiabatic hybrid quantum and molecular mechanic simulations of azobenzene photoswitching in bulk liquid environmentMarcus Böckmann, Nikos L Doltsinis, Dominik MarxJournal of Chemical Theory and Computation|November 18, 2015
Adaptive switching of interaction potentials in the time domain: an extended Lagrangian approach tailored to transmute force field to QM/MM simulations and backMarcus Böckmann, Nikos L Doltsinis, Dominik MarxThe Journal of Chemical Physics|September 7, 2013
Mimicking photoisomerisation of azo-materials by a force field switch derived from nonadiabatic ab initio simulations: application to photoswitchable helical foldamers in solutionMarcus Böckmann, Sebastian Braun, Nikos L Doltsinis, et al.FEBS Letters|September 9, 2008
Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding siteSteffen Wolf, Marcus Böckmann, Udo Höweler, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 2, 2014
Regioselective functionalization of core-persubstituted perylene diimidesWan Yue, Wei Jiang, Marcus Böckmann, et al.Journal of the American Chemical Society|March 21, 2020
Perylene Diimide-Embedded Double [8]HelicenesBo Liu, Marcus Böckmann, Wei Jiang, et al.Pageof 3