Mathematisch-Naturwissenschaftliche Fakultät: Suche
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Development and Application of London Dispersion Corrections for Electronic Structure Methods
(2020-05-19)
Mean-field electronic structure methods like Hartree–Fock ( HF ) or Kohn–Sham ( KS ) Density Functional Theory ( DFT ) do not account for long-range correlation effects and consequently not for London Dispersion ......
Computation of Electronic Excitation Spectra of Large Biomolecular Systems
(2020-11-30)
This thesis presents the theoretical investigation of electronic excitation spectra and nonlinear responses of large biomolecular systems (e.g., proteins or deoxyribonucleic acid fragments), with a particular focus on the ...
Effect of neural ablation of sphingosine-1-phosphate lyase (SGPL1) in glial cells
(2021-11-24)
Sphingosine-1-phosphate (S1P) is an evolutionarily conserved catabolic intermediate of sphingolipid metabolism that regulates diverse biological processes in the brain, including neural development, differentiation, and ...
Structural and electronic decoupling of a large organic molecule from a metal surface by a single layer of hexagonal boron nitride
(2022-02-21)
In the present work, the ability of one single layer of hexagonal boron nitride (hBN) to decouple the organic molecule 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) from an underlying Cu(111) surface was investigated. ...
Das Dreistoffsystem Europium / Phosphor / Sauerstoff: Phasenbestand, Gleichgewichtsbeziehungen und Charakterisierung der Phosphate mit Ergänzungen zum Redoxverhalten von EuPO4 gegenüber Übergangsmetallen
(2021-08-17)
Das ternäre System Europium / Phosphor / Sauerstoff
Die Reihe der thermodynamisch stabilen, wasserfreien Europium(III)-phosphate erstreckt sich vom "basischen" Oxidphosphat EuIII ...
Die Reihe der thermodynamisch stabilen, wasserfreien Europium(III)-phosphate erstreckt sich vom "basischen" Oxidphosphat EuIII ...
Formation and reactions of P-amino substituted Li/Cl phosphinidenoid complexes
(2021-03-25)
In this PhD Thesis results on the synthesis of P-amino substituted Li/Cl phosphinidenoid complexes are presented, with a particular focus on their reactivity in polar and apolar solvents and characteristic trapping reactions ...
Die konvergente Totalsynthese von Ajudazol A über Oxazolmodifikationen
(2020-07-14)
In der vorliegenden Dissertation wird die erste Totalsynthese von Ajudazol A, einem Vertreter der Naturstofffamilie der Ajudazole, beschrieben. Da diese zu den Polyketiden gehörende Naturstoffklasse selektiv die mitochondriale ...
Die Untersuchung von wässrigen Matrices auf Rückstände antibiotisch wirksamer Substanzen mittels LC-MS/MS
(2020-06-25)
Vor dem Hintergrund einer zunehmenden Resistenzproblematik und der schwerwiegenden Folgen einer möglichen Post-Antibiotika-Ära werden geeignete Analysemethoden zur Untersuchung auf Antibiotikarückstände in Umweltproben ...
Simultaneous identification of nucleotide-modified aptamers with different properties by multiplexed click-SELEX
(2020-06-18)
Voltage-gated sodium channels (VGSC) are important key regulators in excitable tissue that initiate and propagate the action potential in specifically excitable tissue such as brain nerves or muscle. In order to understand ...
Efficient approximations for the ab initio calculation of nuclear magnetic resonance shielding tensors
(2022-02-02)
Nuclear magnetic resonance (NMR) spectroscopy is an essential analytic technique in chemical, pharmaceutical, and biomedical research and materials sciences. The information that NMR provides about the molecular structure ......