Professur für Computational Chemistry

Substrate-Modulated Reductive Graphene Functionalization (2016) Schäfer R, Weber K, Kolesnik-Gray M, Hauke F, Krstic V, Meyer B, Hirsch A Journal article, Letter Formation and Stability of Phenylphosphonic Acid Monolayers on ZnO: Comparison of In Situ and Ex Situ SAM Preparation (2016) Ostapenko A, Klöffel T, Meyer B, Witte G Journal article Etching of Crystalline ZnO Surfaces upon Phosphonic Acid Adsorption: Guidelines for the Realization of Well-Engineered Functional Self-Assembled Monolayers (2016) Ostapenko A, Klöffel T, Eussner J, Harms K, Dehnen S, Meyer B, Witte G Journal article Porphyrin Metalation at MgO Surfaces: A Spectroscopic and Quantum Mechanical Study on Complementary Model Systems (2016) Schneider J, Franke M, Gurrath M, Röckert M, Berger T, Bernardi J, Meyer B, et al. Journal article Composite Nanostructures of TiO2 and ZnO for Water Splitting Application: Atomic Layer Deposition Growth and Density Functional Theory Investigation (2016) Kulmas M, Paerson L, Höflich K, Bashouti MY, Wu Y, Göbelt M, Ristein J, et al. Journal article, Original article Self-Assembly and Stability of Hydrogen-Bonded Networks of Bridged Triphenylamines on Au(111) and Cu(111) (2015) Steiner C, Gliemann B, Meinhardt U, Gurrath M, Meyer B, Kivala M, Maier S Journal article, Original article Cubic C-8: An Observable Allotrope of Carbon? (2015) Sharapa D, Hirsch A, Meyer B, Clark T Journal article EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions (2015) Margraf J, Hennemann M, Meyer B, Clark T Journal article Impact of twin boundaries on bulk elastic constants: Density-functional theory data for Young's modulus of Ag (2015) Klöffel T, Bitzek E, Meyer B Journal article Nanotwinned silver nanowires: Structure and mechanical properties (2015) Kobler A, Beuth T, Klöffel T, Prang R, Moosmann M, Seherer T, Walheim S, et al. Journal article