Faculties of University Bonn: Search
Now showing items 641-647 of 647
Exploring Problems in Inorganic Solid-State Systems with Wavefunction-Based Molecular Spectroscopy Methods
(2024-04-23)
The present work explores the possibilities of computational protocols that combine an electrostatic embedding approach to model inorganic crystalline solid-state systems with molecular theory methods for accurate calculation ......
Novel Methods for Chiral Molecules in the Gas Phase and Neoteric Solvents
(2024-03-19)
This thesis focuses on the development and application of computational methods for the calculation of infrared (IR) and vibrational circular dichroism (VCD) spectra in the gas and liquid phase, with special emphasis on ...
The mesoscale organization of Syntaxin 1A and SNAP25 at the plasma membrane
(2023-03-09)
The plasma membrane is a highly crowded place consisting of a plethora of proteins and lipids, which show a high degree of micropatterning. Most proteins are not homogeneously distributed but concentrated in clusters. ...
Activation Mechanisms of RIG-I
(2020-11-02)
(noch nicht zugänglich / not yet accessible)
Mechanistic investigations of organocatalytic and gold-catalyzed reactions and synthetic approach towards a chiral bifunctional catalyst
(2023-05-09)
The first part of this thesis focuses on the mechanistic studies of an intermolecular cyclization reaction between an α,β-unsaturated aldehyde and an electron deficient primary alkyne to a cyclopentene carbaldehyde. Based ......
Theoretical Studies of Nuclear Magnetic Resonance Chemical Shifts
(2024-05-21)
Nuclear magnetic resonance (NMR) spectroscopy is among the most important analytical methods for the determination of the chemical structure of matter. Its versatile applicability leads to the necessity of reliable ...