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Journal of Chemical Theory and Computation|December 11, 2023
Cluster-Based Approach Utilizing Optimally Tuned TD-DFT to Calculate Absorption Spectra of Organic Semiconductor Thin FilmsLuca Craciunescu, Maximilian Asbach, Sara Wirsing, et al.Angewandte Chemie (International Ed. in English)|February 28, 2024
Synthesis and Reactivity of a Dialane-Bridged DiradicalDebabrata Dhara, Lukas Endres, Ivo Krummenacher, et al.Chemical Science|September 3, 2020
Methylbismuth: an organometallic bismuthinidene biradicalDeb Pratim Mukhopadhyay, Domenik Schleier, Sara Wirsing, et al.Chemical Science|October 18, 2021
One- and two-electron reduction of triarylborane-based helical donor-acceptor compoundsXiangqing Jia, Jörn Nitsch, Zhu Wu, et al.Angewandte Chemie (International Ed. in English)|July 15, 2020
cAAC-Stabilized 9,10-diboraanthracenes-Acenes with Open-Shell Singlet Biradical Ground StatesChristian Saalfrank, Felipe Fantuzzi, Thomas Kupfer, et al.Molecules (Basel, Switzerland)|March 27, 2020
New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and Unexpected Prodrug Identification for the Trypanosoma Protease RhodesainPhilipp Klein, Patrick Johe, Annika Wagner, et al.Journal of the American Chemical Society|October 3, 2019
Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient ConditionsSoren K Mellerup, Yunshu Cui, Felipe Fantuzzi, et al.ACS Infectious Diseases|March 12, 2021
A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop ClosureSandra Eltschkner, Josef Kehrein, Thien Anh Le, et al.Molecules (Basel, Switzerland)|May 2, 2020
Naphthoquinones as Covalent Reversible Inhibitors of Cysteine Proteases-Studies on Inhibition Mechanism and KineticsPhilipp Klein, Fabian Barthels, Patrick Johe, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 22, 2020
Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug MoleculesFlorian Kleemiss, Erna K Wieduwilt, Emanuel Hupf, et al.Pageof 19