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The Journal of Chemical Physics|May 10, 2011
Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamicsLevi C T Pierce, Phineus R L Markwick, J Andrew McCammon, et al.Physical Chemistry Chemical Physics : PCCP|January 27, 2011
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyondMarcus Böckmann, Dominik Marx, Christine Peter, et al.Journal of Chemical Theory and Computation|December 3, 2015
Atomistic Force Field for Azobenzene Compounds Adapted for QM/MM Simulations with Applications to Liquids and Liquid CrystalsMarcus Böckmann, Christine Peter, Luigi Delle Site, et al.Physical Review Letters|February 4, 2014
Unraveling orbital hybridization of triplet emitters at the metal-organic interfacePascal R Ewen, Jan Sanning, Nikos L Doltsinis, et al.The Journal of Chemical Physics|May 5, 2007
Thermal and electrical properties of porphyrin derivatives and their relevance for molecule interferometrySarayut Deachapunya, André Stefanov, Martin Berninger, et al.Physical Chemistry Chemical Physics : PCCP|October 8, 2015
Structure of P3HT crystals, thin films, and solutions by UV/Vis spectral analysisMarcus Böckmann, Thomas Schemme, Djurre H de Jong, et al.Beilstein Journal of Nanotechnology|January 1, 2015
Spectroscopic mapping and selective electronic tuning of molecular orbitals in phosphorescent organometallic complexes - a new strategy for OLED materialsPascal R Ewen, Jan Sanning, Tobias Koch, et al.Chemical Science|October 20, 2021
Acid-catalysed liquid-to-solid transitioning of arylazoisoxazole photoswitchesLuuk Kortekaas, Julian Simke, Niklas B Arndt, et al.The Journal of Organic Chemistry|August 3, 2022
Reversible, Red-Shifted Photoisomerization in Protonated AzobenzenesJonas Rickhoff, Niklas B Arndt, Marcus Böckmann, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 22, 2005
Ab initio studies of electron acceptor-donor interactions with blue- and red-shifted hydrogen bondsPawel Rodziewicz, Konstantin S Rutkowski, Sonia M Melikova, et al.Pageof 12