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Displaying 1 - 11 of 11
Arsenic Transport in Natural Porous Media
Arsenic (As) contamination of groundwater is a problem of enormous scale and affects the health of millions of people ...
NaturwissenschaftenWasserforschung
Investigation of Photochemical Pathways to Metal-Nitrene Compounds From Azide Precursors II
Azides are omnipresent in organic and inorganic chemical synthesis. They are readily introduced into molecules and allow ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Machine Learning Application in Automotive Catalysts
The computational resources of the Lichtenberg HPC were used in this project to train physics informed machine learning ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Principles of On-Surface Synthesis
In the past centuries chemists have established a solid knowledge for the synthesis of molecules in solution. With the ...
NaturwissenschaftenPhysik der kondensierten Materie
Spectroscopic Properties and ORR Reaction Paths for FeNC Catalyst Models
With street traffic being a major contributor to carbon dioxide emission and global warming, alternatives to the ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Structure Optimization, Dielectric and Magnetic Properties of Pure Silicon as well as Iron-Doped Silicon and Tin Clusters
The previous investigation of SnN clusters with N = 6−40 showed that below a clusters size of about 30 atoms, a prolate ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Wigner Sampling of Mössbauer-Parameters
Mössbauer spectroscopy is a powerful tool for investigating iron in molecular and especially amorphous systems. Combined ...
NaturwissenschaftenPhysikalische und Theoretische Chemie-
Gluonic Green‘s Functions of Quantum Chromodynamics
According to modern physics, nature can be explained by four fundamental forces: the gravitational, the electromagnetic ...
NaturwissenschaftenTeilchen, Kerne und Felder 
Improvement of Methods for the Comparison of Protein Binding Sites
The detection of structural similarities between protein binding sites is an important challenge in medicinal drug ...
NaturwissenschaftenBiologische Chemie und Lebensmittelchemie
Modelling of Neutron Star Properties
The investigation of neutron stars is a central topic in modern astrophysics. Whereas the crust of the star consists of ...
NaturwissenschaftenAstrophysik und Astronomie
Orbital-Dependent Exchange-Correlation Energy Functionals
In this phase of the project the exact exchange (EXX) of density functional theory was applied to both free-standing ...
NaturwissenschaftenChemische Festkörper- und OberflächenforschungPhysikalische und Theoretische Chemie
