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- 2018
-
Mark
On the difference between additive and subtractive QM/MM calculations
(
- Contribution to journal › Article
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Mark
Multiconfigurational short-range density-functional theory for open-shell systems
(
- Contribution to journal › Article
-
Mark
Arginine "magic" : Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating Peptides
(
- Contribution to journal › Article
- 2017
-
Mark
Comparison of QM/MM Methods To Obtain Ligand-Binding Free Energies
(
- Contribution to journal › Article
-
Mark
Multiscale Modelling of Lytic Polysaccharide Monooxygenases
(
- Contribution to journal › Article
-
Mark
Swelling and Microstructure of Nanoplatelet Systems
2017)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Relativistic Polarizable Embedding
(
- Contribution to journal › Article
-
Mark
Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
(
- Contribution to journal › Article
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Mark
Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)
(
- Contribution to journal › Article
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Mark
Quantum chemical calculations of the structural influence on electronic properties in TiO2 nanocrystals
(
- Contribution to journal › Article