dr. Danny Vanpoucke
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Predicting partial atomic charges in siliceous zeolites
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A combined experimental and theoretical investigation of the Al-Melamine reactive milling system : a mechanistic study towards AlN-based ceramics
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Revisiting the neutral C-vacancy in diamond : localization of electrons through DFT plus U
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Mechanochemical synthesis of nanostructured metal nitrides, carbonitrides and carbon nitride : a combined theoretical and experimental study
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Linker functionalization in MIL-47(V)-R metal-organic frameworks : understanding the electronic structure
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Mechanochemical route to the synthesis of nanostructured Aluminium nitride
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Flexible Ti- and Zr-MOFs based on 1,4-trans-cyclohexanedicarboxylate linkers
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Metal-organic frameworks : when the whole is more than the sum of its parts
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First-principles study of antisite defect configurations in ZnGa2O4:Cr persistent phosphors
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Understanding experiments : the power of first principle simulations of metal-organic frameworks