Computational Chemistry
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- 2020
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Mark
Does the crystal structure of vanadium nitrogenase contain a reaction intermediate? Evidence from quantum refinement
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- Contribution to journal › Article
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Mark
Electrostatically Driven Structure Formation in Clay Dispersions
2020)(
- Thesis › Doctoral thesis (compilation)
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Mark
Numerical study of dense particle flows under planar shear
2020)(
- Thesis › Doctoral thesis (compilation)
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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
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
Accuracy and precision of statistical descriptors obtained from multidimensional diffusion signal inversion algorithms
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- Contribution to journal › Article
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Mark
Non-radiative decay and fragmentation in water molecules after 1a1-14a1 excitation and core ionization studied by electron-energy-resolved electron-ion coincidence spectroscopy
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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
Hot Branching Dynamics in a Light-Harvesting Iron Carbene Complex Revealed by Ultrafast X-ray Emission Spectroscopy
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- Contribution to journal › Article
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Mark
Computational Studies of Nitrogenase
2020)(
- Thesis › Doctoral thesis (compilation)