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Bringing Massive Parallelism and Hardware Acceleration to Linear Scaling Density Functional Theory Through Targeted Approximations
Elektronische Ressource, Paderborn, 2022Eisenbasierte Photosensitizer für die Photokatalyse
Elektronische Ressource, Paderborn, 2018Energetics and chemistry of hydrogen bonds in water and at the surface
thesis to aquire the title Doktor der NaturwissenschaftenElektronische Ressource, Paderborn, 2018Establishment of a model for self-assembly processes in biological systems
Elektronische Ressource, Paderborn, 2022Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy
Elektronische Ressource, Paderborn, 2019Experimental and theoretical spectroscopy on molecular transition metal based systems for sustainable chemistry
Elektronische Ressource, Paderborn, 2024Fingerprints of order and disorder
the electronic structure and optical response of crystalline and amorphous materialsElektronische Ressource, Paderborn, 2020High energy resolution X-ray absorption and emission based studies on the mononuclear spin crossover complex [Fe(L-N4Bn2)(NCS)2]
Elektronische Ressource, Paderborn, 2018Impact of hydrophobicity and confinement on the structure and dynamics of water at interfaces
Elektronische Ressource, Paderborn, 2023Implementing Meta-GGA functionals in PAW formalism and applications in molecular and nanoscale thin-film systems
Elektronische Ressource, Paderborn, 2024In-situ analysis of particles in contact under ambient conditions
Elektronische Ressource, Paderborn, 2016Iron oxide catalysts for CO oxidation
from basic structure-activity-correlation to an advanced preparation strategy for highly active catalystsElektronische Ressource, Paderborn, 2021Eine linear skalierende DFT-Methode und Hochdurchsatz-Rechnungen für p-leitende, transparente Halbleiter
Elektronische Ressource, Paderborn, 2020N-heterocyclic carbene based iron and ruthenium photosensitizer with amine donors - A systematic study on spectroscopic differences
Elektronische Ressource, Paderborn, 2020Phenanthroline-based copper complexes for water splitting applications
photo-physical and spectroscopic investigationsElektronische Ressource, Paderborn, 2017Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory
a powerful methodology in cases where conventional methods failElektronische Ressource, Paderborn, 2019Self-assembly of polyelectrolytes and oppositely charged multivalent cations
Elektronische Ressource, Paderborn, 2020Synthesis and characterization of multichromophoric iron(II) complexes as novel photosensitizers
Elektronische Ressource, Paderborn, 2022