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Journal of Computational Chemistry|June 10, 2011
Derivatives of molecular surface area and volume: simple and exact analytical formulasKonstantin V Klenin, Frank Tristram, Timo Strunk, et al.ACS Applied Materials & Interfaces|December 26, 2017
Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin FilmsPascal Friederich, Vadim Rodin, Florian von Wrochem, et al.The Journal of Chemical Physics|July 24, 2009
Probing hot spots on protein-protein interfaces with all-atom free-energy simulationIrene Meliciani, Konstantin Klenin, Timo Strunk, et al.Journal of Chemical Theory and Computation|November 21, 2015
Ab Initio Treatment of Disorder Effects in Amorphous Organic Materials: Toward Parameter Free Materials SimulationPascal Friederich, Franz Symalla, Velimir Meded, et al.Journal of Chemical Theory and Computation|November 19, 2015
QM/QM approach to model energy disorder in amorphous organic semiconductorsPascal Friederich, Velimir Meded, Franz Symalla, et al.Scientific Data|September 5, 2023
Accurate GW frontier orbital energies of 134 kilo moleculesArtem Fediai, Patrick Reiser, Jorge Enrique Olivares Peña, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 21, 2018
Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDsTobias Setzer, Pascal Friederich, Velimir Meded, et al.Physical Review Letters|January 14, 2017
Charge Transport by Superexchange in Molecular Host-Guest SystemsFranz Symalla, Pascal Friederich, Andrea Massé, et al.Frontiers in Chemistry|January 10, 2022
De Novo Calculation of the Charge Carrier Mobility in Amorphous Small Molecule Organic SemiconductorsSimon Kaiser, Tobias Neumann, Franz Symalla, et al.Nature Communications|March 13, 2023
Controlling doping efficiency in organic semiconductors by tuning short-range overscreeningJonas Armleder, Tobias Neumann, Franz Symalla, et al.Pageof 21