Computational Chemistry
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- 2020
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Mark
A numerical study of partitioned fluid-structure interaction applied to a cantilever in incompressible turbulent flow
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- Contribution to journal › Article
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Mark
Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
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- Contribution to journal › Article
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Mark
Spontaneous Formation of Cushioned Model Membranes Promoted by an Intrinsically Disordered Protein
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- Contribution to journal › Article
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Mark
Physicochemical characterisation of KEIF€-the intrinsically disordered N-terminal region of magnesium transporter A
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- Contribution to journal › Article
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Mark
An Exact Ewald Summation Method in Theory and Practice
2020) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 124(19). p.3943-3946(
- Contribution to journal › Article
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Mark
Importance of the iron–sulfur component and of the siroheme modification in the resting state of sulfite reductase
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- Contribution to journal › Article
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N2H2 binding to the nitrogenase FeMo cluster studied by QM/MM methods
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- Contribution to journal › Article
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Mark
Computational Studies of Nitrogenase
2020)(
- Thesis › Doctoral thesis (compilation)
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Mark
Interactions in aqueous salt solutions : Atomistic modelling versus experiment
2020)(
- Thesis › Licentiate thesis
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Mark
Unifying viscous and inertial regimes of discontinuous shear thickening suspensions
(
- Contribution to journal › Article