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Displaying 1 - 4 of 4
Calculating Photoelectron Binding Energies on Organic Molecules to Assist Photoemission Spectra Interpretation
The photoelectron spectroscopy data of organic molecules, in our case organic semiconductors, are mainly dominated by ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Calculations of Vibrational Spectra for Different Facets of Ceria Using Density Functional Theory (DFT)
Ceria is an important support material for precious metals to catalyze oxidation reactions such as CO oxidation or the ...
NaturwissenschaftenChemische Festkörper- und Oberflächenforschung
Large-Scale Configuration Interaction for Ab Initio Nuclear Structure
The goal of ab initio nuclear structure theory is the description of correlated systems of many nucleons based on the ...
NaturwissenschaftenTeilchen, Kerne und Felder
Topological Susceptibility at High Temperatures from Lattice Quantum Chromodynamics
The theory of the strong interaction, Quantum Chromodynamics, is known to have complicated topological structures called ...
NaturwissenschaftenTeilchen, Kerne und Felder
