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- 2012
-
Mark
Coupled Cluster and Moller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions
(
- Contribution to journal › Article
-
Mark
Quantum Chemical Calculations of Side-Group Stacking and Electronic Properties in Thiophene-Quinoxaline Polymers
(
- Contribution to journal › Article
-
Mark
Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groups
(
- Contribution to journal › Article
-
Mark
Attraction between neutral dielectrics mediated by multivalent ions in an asymmetric ionic fluid
(
- Contribution to journal › Article
-
Mark
On the estimation of ligand binding affinities
2012)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Thermodynamics and Structure of Plate-Like Particle Dispersions
2012)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Quantum mechanics in structure-based ligand design
(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2011
-
Mark
A QM/MM study of the binding of RAPTA ligands to cathepsin B
(
- Contribution to journal › Article
-
Mark
Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein
(
- Contribution to journal › Article
-
Mark
Reorganization Energy for Internal Electron Transfer in Multicopper Oxidases.
(
- Contribution to journal › Article