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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)
-
Mark
New Approaches to Large-Scale Electronic Structure Calculations
2007)(
- Thesis › Doctoral thesis (compilation)
- 2006
-
Mark
Electrostatic Interactions In and Between Biomolecules
2006)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Theoretical Reflections of Solvation in Polar Media
2006)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Development and Implementation of Methods in Theoretical Chemistry
2006)(
- Thesis › Doctoral thesis (monograph)
- 2004
-
Mark
Theoretical aspects of tetrapyrrole biochemistry
2004)(
- Thesis › Doctoral thesis (compilation)
- 2003
-
Mark
Quantum Chemical Interpretation of Protein Crystal Structure
2003)(
- Thesis › Doctoral thesis (compilation)
- 2001
-
Mark
Calculated Potential Energy Surfaces and Vibrational Analysis
2001)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Charged Polymers: From DNA to Polyampholytes
2001)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Studies of molecular systems with multiconfigurational methods
2001)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Theoretical studies of porphyrin proteins
2001)(
- Thesis › Doctoral thesis (compilation)
- 2000
-
Mark
Association and Microstructure in Self-Assembling Catanionic Systems
2000)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Theoretical studies of blue copper proteins
2000)(
- Thesis › Doctoral thesis (compilation)
- 1999
-
Mark
Statistical Mechanical Studies of Aqueous solutions and Biomolecular Systems
1999)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Modeling of intra- and intermolecular potentials
1999)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Theoretical studies of response properties of organic molecules
1999)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Ternary Block Copolymer Systems - Phase Behaviour and Phase Structure
1999)(
- Thesis › Doctoral thesis (compilation)
- 1996
-
Mark
Flexible molecular systems studied by quantum chemistry and statistical mechanics
1996)(
- Thesis › Doctoral thesis (compilation)