Georg S Michelitsch

Remote functionalization in surface-assisted dehalogenation by conformational mechanics: organometallic self-assembly of 3,3',5,5'-tetrabromo-2,2',4,4',6,6'-hexafluorobiphenyl on Ag(111).

K. Reuter, N. Martsinovich, T. Strunskus, 2018, Nanoscale.

Assembly of Robust Holmium-Directed 2D Metal-Organic Coordination Complexes and Networks on the Ag(100) Surface.

K. Reuter, J. Barth, Raphael Hellwig, 2018, ACS nano.

Ab Initio simulation of core-level spectroscopies and correlated materials

Georg S Michelitsch, 2019 .

Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion.

K. Reuter, J. Barth, J. Ducke, 2021, Journal of the American Chemical Society.

Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches.

K. Reuter, Georg S Michelitsch, 2019, The Journal of chemical physics.

Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations.

J. Lischner, K. Reuter, R. Maurer, 2021, The journal of physical chemistry letters.

Spin Manipulation by Creation of Single-Molecule Radical Cations.

J. Lü, R. Berndt, K. Reuter, 2015, Physical review letters.

Communication: Charge-population based dispersion interactions for molecules and materials.

K. Reuter, R. Maurer, J. Tully, 2016, The Journal of chemical physics.