Naturwissenschaftliche Fakultät

Analyzing the response of exchange–correlation potentials of chain-like molecules to electric fields by Kohn–Sham inversion and evaluation of the response within the random phase approximation (2025) Trushin E, Mandalia R, Görling A Journal article Quadratic acid as a structural motive in a Lehn-type cryptand - prediction of ion selectivity by quantum chemical calculations. XX (2025) Capponi T, Khairbek AA, Ćoćić D, Soldatović T, Puchta R, van Eldik R Journal article Two complementary analytical approaches to study odorant metabolism in the olfactory epithelium (2025) Kornbausch N, Reynaud R, Büttner A, Steinke M, Thomas-Danguin T, Loos H, Heydel JM Journal article Colloidal origin of hematite in Pleistocene iron-rich sedimentary rocks from Milos Island, Greece: An analogue for Precambrian iron shuttle (2025) Sun S, Klemd R, Voudouris P Journal article Hamiltonian renormalization. IX. U(1)3 quantum gravity (2025) Rodriguez Zarate A, Thiemann T Journal article Hexabenzocoronene–Benzimidazole Hybrid Architectures and Faraday Rotation of the First Hexabenzocoronene–Phthalocyanine (2025) Rocha Ortiz A, Suleymanov AA, Puhlmann P, Krischer D, Müller C, Zahn D, Swager TM, Hirsch A Journal article Exploring a modified quantum dynamics based on Tsallis' distribution (2025) Chung WS, Junker G, Nieto LM, Hassanabadi H Journal article Effective surface modifications on BaTiO3: linking structural motifs to methane coupling performance (2025) Gan R, Ziegler A, Meyer B, Nishida Y, Haneda M, Hayakawa T Journal article Mixed Gaussian and plane wave basis set implementation of the random phase approximation and of σ-functionals within the program package CP2K (2025) Mandalia R, Trushin E, Stein F, Kühne TD, Görling A Journal article Electrooxidation-Induced Reverse Switching in Azobenzene-Based Photoswitches (2025) Hussain Z, Schatz D, Oberhof N, Franz E, Schauermann D, Dreuw A, Wegner HA, et al. Journal article