Dr. Christian Neiß

Lehrstuhl für Theoretische Chemie

Geometries and vibrational frequencies with Kohn-Sham methods using σ -functionals for the correlation energy (2023) Neiß C, Fauser S, Görling A Journal article Oxidative Cyclodehydrogenation of Trinaphthylamine: Selective Formation of a Nitrogen-Centered Polycyclic pi-System Comprising 5-and 7-Membered Rings (2022) Nebauer J, Neiß C, Krug M, Vogel A, Fehn D, Ozaki S, Rominger F, et al. Journal article Reversible structural rearrangement of pi-expanded cyclooctatetraene upon two-fold reduction with alkali metals (2022) Zhou Z, Zhu Y, Wei Z, Bergner J, Neiß C, Doloczki S, Görling A, et al. Journal article Tetra(peri-naphthylene)anthracene: A Near-IR Fluorophore with Four-Stage Amphoteric Redox Properties (2022) Frisch S, Neiß C, Lindenthal S, Zorn NF, Rominger F, Görling A, Zaumseil J, Kivala M Journal article Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues (2021) Fauser S, Trushin E, Neiß C, Görling A Journal article Controlling the Formation of Sodium/Black Phosphorus IntercalationCompounds Towards High Sodium Content (2021) Werbach K, Neiß C, Muellner A, Abellan G, Setman D, Lloret V, Wild S, 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 Phosphorus-Containing Dibenzonaphthanthrenes: Electronic Fine Tuning of Polycyclic Aromatic Hydrocarbons through Organophosphorus Chemistry (2020) Kivala M, Ascherl J, Neiß C, Vogel A, Graf J, Rominger F, Oeser T, et al. Journal article Noncovalent Functionalization and Passivation of Black Phosphorus with Optimized Perylene Diimides for Hybrid Field Effect Transistors (2020) Lloret V, Nuin E, Kohring M, Wild S, Löffler M, Neiß C, Krieger M, et al. Journal article Dehydrogenation of the liquid organic hydrogen carrier system 2-methylindole/2-methylindoline/2-methyloctahydroindole on Pt(111) (2019) Bachmann P, Steinhauer J, Späth F, Düll F, Bauer U, Eschenbacher R, Hemauer F, et al. Journal article