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- 2024
-
Mark
Modeling Photofunctional Transition Metal Complexes
2024)(
- Thesis › Doctoral thesis (compilation)
- 2019
-
Mark
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data
(
- Contribution to journal › Article
- 2018
-
Mark
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
(
- Contribution to journal › Article
- 2016
-
Mark
Molecular and Interfacial Calculations of Iron(II) Light Harvesters
(
- Contribution to journal › Article
- 2015
-
Mark
Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications
2015)(
- Thesis › Doctoral thesis (compilation)
- 2014
-
Mark
Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems
(
- Contribution to journal › Article
- 2009
-
Mark
Influence of the [2Fe](H) Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts
(
- Contribution to journal › Article
-
Mark
A first-principles approach to protein–ligand interaction
2009)(
- Thesis › Doctoral thesis (compilation)
- 2008
-
Mark
Development and Application of a First Principle Molecular Model for Solvent Effects
2008)(
- Thesis › Doctoral thesis (compilation)
- 2007
-
Mark
Theoretical Studies of Cytochrome P450
2007)(
- Thesis › Doctoral thesis (compilation)