Fakultäten der Universität Bonn: Suche
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Internally Contracted Multireference Coupled-Cluster Theories With Automated Code Generation
(2023-05-22)
Developing a coupled-cluster theory based on a multiconfigurational reference wave function still is one of the most challenging problems in quantum chemistry, both from a theoretical and implementational perspective. ...
Computational Modeling of Complex Chemical Transformations in Homogeneous Catalysis
(2023-09-18)
Catalysis is involved in most manufactured products and hence it is highly important for supplying the society with energy, food, pharmaceuticals and other goods. In recent years, increasing attention has been paid to the ......
Nonmetal coordination chemistry: P-adducts of electrophilic, terminal phosphinidene complexes
(2023-12-13)
This PhD thesis focused on the synthesis and reactions of neutral, donor-stabilized electrophilic, terminal phosphinidene complexes bearing only π-accepting coligands starting from very strained P-heterocycle complexes or ...
Synthesis, reactions and redox properties of 1,4-dihydro-1,4-diphosphinines and related P/Si- and P/Ge-compounds
(2023-11-16)
This Ph.D. thesis describes the P-centered as well as other heteroatom-centered reactions of mixed-atom heterocyclic compounds.
Initially, the synthesis of the anionic imidazole-2-thione-fused 1,4-dihydro-1,4-diphosphinines ...
Initially, the synthesis of the anionic imidazole-2-thione-fused 1,4-dihydro-1,4-diphosphinines ...
New Insights into Terpene Synthase Catalysis for Rational Enzyme Engineering
(2023-11-07)
This doctoral dissertation consists of 4 reviews and 16 research articles that present mechanistic studies on terpene biosynthesis. Specifically, sesquiterpenes biosynthetically derived from germacrene A, hedycaryol and ...
Lignine aus Low-Input-Pflanzen: Einfluss von Biomasse, Vorbehandlung und Aufschlussparametern auf Struktur und Antioxidanz
(2023-10-31)
Lignin ist ein aromatisches Biopolymer, das in den Zellwänden von Pflanzen vorkommt. Es ist hauptsächlich aus drei sogenannten Monolignolen (p-Hydroxyphenyl (H), Guajakol (G) und Syringol (S)) aufgebaut, die über verschiedene ......
Lignin is an aromatic biopolymer found in the cell walls of plants. It is mainly composed of three so-called monolignols (p-hydroxyphenyl (H), guaiacol (G) and syringol (S)), which can be linked via various bonds, and ......
Lignin is an aromatic biopolymer found in the cell walls of plants. It is mainly composed of three so-called monolignols (p-hydroxyphenyl (H), guaiacol (G) and syringol (S)), which can be linked via various bonds, and ......
Entwicklung eines Airystrahl-Lichtscheibenmikroskops in Verbindung mit einer Deep Learning-basierten Bildoptimierung
(2024-01-08)
Für die Erforschung und das Verständnis komplexer Strukturen im Gehirn ist die Erfassung sowohl kleinster Details als auch ganzer Hirnareale notwendig. Die Umsetzung dieser Kombination von hoher Auflösung und großem Sichtfeld ...
Synthese von Molekülen und metallosupramolekularen Aggregaten zur Parkettierung von HOPG-Oberflächen und deren theoretische Beschreibung
(2023-12-18)
Die vorliegende Arbeit befasst sich mit der Adsorption und Selbstorganisation von organischen Molekülen an der fest/flüssig-Grenzfläche zu hochorientiertem pyrolytischen Graphit (HOPG). Unter den richtigen Bedingungen ...
Katalytische Aktivität ternärer Übergangsmetalloxide
(2023-12-18)
In dieser Arbeit wurden mittels quantenchemischer Methoden ternäre Übergangsmetalloxide, MxTi1–xO2 und ZnFe2O4, auf ihre Eignung als Katalysatoren für die Wasserspaltung ......
Catalytic Activity of Ternary Transition Metal Oxides
In this work, ternary transition metal oxides, MxTi1–xO2 and ZnFe2O4, were investigated ......
Catalytic Activity of Ternary Transition Metal Oxides
In this work, ternary transition metal oxides, MxTi1–xO2 and ZnFe2O4, were investigated ......
Time-Resolved Spectroscopy of Transition Metal Complexes
(2024-01-23)
Owing to their thermodynamic properties, transition metal azido compounds are often prone to decomposition. Frequently, this occurs under release of dinitrogen giving rise to nitrene or nitride complexes which are of ...