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Unraveling phase transformations and reactivity in functional nanostructured materials using computational vibrational spectroscopy
(2023) -
- Journal Article
- A1
- open access
Microscopic linker distribution in mixed-linker zeolitic imidazolate frameworks via computational raman spectroscopy : implications for gas separation
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- Journal Article
- A1
- open access
Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy
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- Journal Article
- A1
- open access
The role of phonons in switchable MOFs : a model material perspective
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- Journal Article
- A1
- open access
How water and ion mobility affect the NMR fingerprints of the hydrated JBW zeolite : a combined computational‐experimental investigation
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- Journal Article
- A1
- open access
Unfolding the terahertz spectrum of soft porous crystals : rigid unit modes and their impact on phase transitions
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- Journal Article
- A1
- open access
Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al)
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- Journal Article
- A1
- open access
Towards modeling spatiotemporal processes in metal–organic frameworks
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- Journal Article
- A1
- open access
Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal–organic framework MIL-53(Al) for water-adsorption applications using molecular simulations
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- Journal Article
- A1
- open access
Engineering a highly defective stable UiO-66 with tunable Lewis-Brønsted acidity : the role of the hemilabile linker