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Physical 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 MarxThe Journal of Chemical Physics|May 12, 2007
Ultrafast repair of irradiated DNA: nonadiabatic ab initio simulations of the guanine-cytosine photocyclePhineus R L Markwick, Nikos L DoltsinisPhysical Chemistry Chemical Physics : PCCP|September 22, 2018
Conformation-dependent phosphorescence emission of individual mononuclear ruthenium-(ii)-bis-terpyridine complexesTobias Koch, Christiane Höppener, Nikos L DoltsinisJournal 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 MarxJournal of the American Chemical Society|January 28, 2010
Recyclization rate of a photocleaved peptide from multiscale simulationHarald Nieber, Arnim Hellweg, Nikos L DoltsinisJournal of the American Chemical Society|August 5, 2004
Ab initio molecular dynamics simulations and g-tensor calculations of aqueous benzosemiquinone radical anion: effects of regular and "T-stacked" hydrogen bondsJames R Asher, Nikos L Doltsinis, Martin KauppChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 17, 2012
Kinetically controlled formation of formamide trimer from first principlesBartłomiej M Szyja, Anna Antoniou, Nikos L DoltsinisMagnetic Resonance in Chemistry : MRC|October 20, 2005
Extended Car-Parrinello molecular dynamics and electronic g-tensors study of benzosemiquinone radical anionJames R Asher, Nikos L Doltsinis, Martin KauppPageof 10