Professur für Computational Chemistry

N-Heterocycle-Substituted Hexa-peri-Hexabenzocoronenes with Windmill Architectures (2025) Mörsel S, Ritterhoff C, Kellner R, Meyer B, Hirsch A Journal article Tribological Performance of Nitrogen-Modified Physical Vapor Deposition-Molybdenum Disulfide (PVD-MoS2) Coatings in Rolling–Sliding Contact: Correlation Between Wear, Microstructure, and Chemical Composition (2025) Seynstahl A, Arold T, Dhamo K, Meyer B, Merle B, Tremmel S Journal article Fused Hexabenzocoronene-Porphyrin Conjugates with Tailorable Excited-State Lifetimes (2024) Oleszak C, Schol P, Ritterhoff C, Krug M, Martin M, Bo Y, Meyer B, et al. Journal article β-meso-Fused pyrene–porphyrin scaffolds with panchromatic absorption features (2024) Oleszak C, Ritterhoff C, Meyer B, Jux N Journal article Manifold-Fused Porphyrin-Nanographene Conjugates (2024) Oleszak C, Ritterhoff C, Martin M, Meyer B, Jux N Journal article Phenylphosphonic Acid on Rutile TiO2(110): Using Theoretically Predicted O 1s Spectra to Identify the Adsorption Binding Modes (2024) Wolfram A, Muth M, Köbl J, Mölkner A, Mehl S, Tsud N, Steinrück HP, et al. Journal article Simultaneous Inside and Outside Functionalization of Single-Walled Carbon Nanotubes (2024) Kraus J, Meingast L, Hald J, Beil SB, Biskupek J, Ritterhoff C, Gsänger S, et al. Journal article Synthesis and Characterization of Bola-Amphiphilic Porphyrin-Perylenebisimide Architectures (2024) Schulze E, Ritterhoff C, Franz E, Tavlui O, Brummel O, Meyer B, Hirsch A Journal article Investigation of ferroelectric Ba1−xCaxZryTi1−yO3 single crystal by in situ temperature-dependent x-ray diffraction and first-principles calculations (2023) Gadelmawla A, Spreafico S, Heinemann FW, Urushihara D, Liu D, Li Q, Yan Q, et al. Journal article Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation Using Machine-Learning Potential through Active Learning (2023) Deguchi G, Kobayashi R, Azuma H, Ogata S, Uranagase M, Spreafico S Journal article