Computational Chemistry
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- 2020
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Non-monotonic phase behaviour of a mixture containing non-adsorbing particles and polymerising rod-like molecules
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- Contribution to journal › Article
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Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes
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- Contribution to journal › Article
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The ANO-R Basis Set
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- Contribution to journal › Article
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Adsorption of Fibrinogen on Silica Surfaces-The Effect of Attached Nanoparticles
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- Contribution to journal › Article
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Photophysics and photochemistry of iron carbene complexes for solar energy conversion and photocatalysis
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- Contribution to journal › Scientific review
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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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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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FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
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- Contribution to journal › Article
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Site-Selective Orbital Interactions in an Ultrathin Iron-Carbene Photosensitizer Film
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- Contribution to journal › Article
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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