Lehrstuhl für Theoretische Chemie

A group of cationic amphiphilic drugs activates MRGPRX2 and induces scratching behavior in mice (2021) Wolf K, Kühn H, Boehm F, Gebhardt L, Glaudo M, Agelopoulos K, Ständer S, et al. Journal article Screening Nanographene-Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces (2021) Haines P, Kaur R, Martin M, Minameyer M, Frühwald S, Bönisch S, Lungerich D, et al. Journal article Molecular Simulations as Guides to Ammonothermal Syntheses of Nitrides—State of the Art and Perspectives (2021) Wonglakhon T, Zahn D Book chapter / Article in edited volumes Metalated Graphyne-Based Networks as Two-Dimensional Materials: Crystallization, Topological Defects, Delocalized Electronic States, and Site-Specific Doping (2020) Yang Z, Sander T, Gebhardt J, Schaub TA, Schonamsgruber J, Soni H, Görling A, et al. Journal article Reduction of π-Expanded Cyclooctatetraene with Lithium: Stabilization of the Tetra-Anion through Internal Li+ Coordination (2020) Zhou Z, Zhu Y, Wei Z, Bergner J, Neiß C, Doloczki S, Görling A, et al. Journal article Lieb-Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem (2020) Erhard J, Fauser S, Moerman E, Kalaß S, Trushin E, Görling A Journal article Mixed Organic Ligand Shells: Controlling the Nanoparticle Surface Morphology toward Tuning the Optoelectronic Properties (2020) Henkel C, Wittmann J, Träg J, Will J, Stiegler L, Strohriegl P, Hirsch A, et al. Journal article Parallel generalized real symmetric-definite eigenvalue problem (2020) Sims JS, Ruiz MB Journal article Quantifying how step-wise fluorination tunes local solute hydrophobicity, hydration shell thermodynamics and the quantum mechanical contributions of solute-water interactions (2020) Robalo JR, Mendes De Oliveira D, Imhof P, Ben-Amotz D, Vila Verde A Journal article Area-Selective Growth of HfS(2)Thin Films via Atomic Layer Deposition at Low Temperature (2020) Cao Y, Wähler T, Park H, Will J, Prihoda A, Moses Badlyan N, Fromm L, et al. Journal article