Computational Chemistry
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- 2018
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Mark
Reaction mechanism of metalloenzymes studied by theoretical methods
2018)(
- Thesis › Doctoral thesis (compilation)
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Many-body depletion forces of colloids in a polydisperse polymer dispersant in the long-chain limit
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- Contribution to journal › Article
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Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
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- Contribution to journal › Article
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Mark
Reaction mechanism of formate dehydrogenase studied by computational methods
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- Contribution to journal › Article
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Mark
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
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- Contribution to journal › Article
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Mark
Binding of Divalent Cations to Insulin : Capillary Electrophoresis and Molecular Simulations
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- Contribution to journal › Article
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Mark
Multiconfigurational short-range density-functional theory for open-shell systems
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- Contribution to journal › Article
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On the difference between additive and subtractive QM/MM calculations
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- Contribution to journal › Article
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An overview of the transport of liquid molecules through structured polymer films, barriers and composites – Experiments correlated to structure-based simulations
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- Contribution to journal › Article
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Strong-coupling theory of counterions between symmetrically charged walls : From crystal to fluid phases
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- Contribution to journal › Article