Universität zu Köln

2022

Herrmann, Nils ORCID: 0000-0002-6468-9180 (2022). A Rigorously Spin-Adapted and Spin-Complete Coupled Cluster Method for Arbitrary High-Spin Open-Shell States. Thesis Abstract, Universität zu Köln.

2019

Segieth, Sarah (2019). Development and Implementation of a Frozen-Orbital Environment within the Incremental SCheme. Thesis Abstract, Universität zu Köln.

Heinz, Norah (2019). Lanthanoid(III) and Actinoid(III) Motexafins in Photodynamic Therapy — a Computational Study on the Electronic Properties of Motexafin Gadolinium. Thesis Abstract, Universität zu Köln.

2016

Weißmann, Daniel (2016). Benchmarkrechnungen an 5f-in-core-Pseudopotentialen dreiwertiger Actinoide und quantenchemische Untersuchungen zur Komplexierung von Eu(III), Am(III) und Cm(III) mittels Cyanex 301. Thesis Abstract, Universität zu Köln.

2013

Hangele, Tim (2013). Relativistic Energy-consistent Pseudopotentials for Superheavy Elements Including Quantum Electrodynamic Effects. Thesis Abstract, Universität zu Köln.

Ciupka, Jan (2013). Localization Scheme for Relativistic Spinors and Optimized Electron Repulsion Integral Evaluation and Transformation. Thesis Abstract, Universität zu Köln.

2012

Hülsen, Michael (2012). Optimization of Integral Transformations and Quantum Chemical Calculations on Organometallic Templates. Thesis Abstract, Universität zu Köln.