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Professur für Computational Chemistry
Friedrich-Alexander-Universität Erlangen-Nürnberg
Naturwissenschaftliche Fakultät
Department Chemie und Pharmazie
Overview
Publications
(61)
Research Grants
(6)
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Journal article
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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
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
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
Understanding the mechanism of the sulfur mustard hydrolysis reaction on the atomistic level from experiment and first-principles simulations (2023)
Klöffel T, Gordon D, Popiel S, Nawala J, Meyer B, Rodziewicz P
Journal article
Is the polarity of the Co3O4(111) surface compensated by electron transfer from bulk donor defects? (2023)
Gurrath M, Schlott H, Meyer B
Journal article
Speeding-up Hybrid Functional-Based Ab Initio Molecular Dynamics Using Multiple Time-stepping and Resonance-Free Thermostat (2023)
Kar R, Mandal S, Thakkur V, Meyer B, Nair NN
Journal article
Structural reorientation and compaction of porous MoS2 coatings during wear testing (2022)
Krauß S, Seynstahl A, Tremmel S, Meyer B, Bitzek E, Göken M, Yokosawa T, et al.
Journal article
Atomically resolved TEM imaging of covalently functionalised graphene (2022)
Dolle C, Schweizer P, Dasler D, Gsänger S, Maidl R, Abellán G, Hauke F, et al.
Journal article
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