A.E.J. Hoffman
One crystal, two phases: Designing phase coexistence in metal-organic frameworks
Towards accurate estimates for transition rates of physical transformations in nanoporous crystals
Computation and partitioning of IR and Raman spectra to unlock the vibrational fingerprint of nanoporous adsorbents.
A combined theoretical/experimental study of the stability of 2D metal-organic frameworks to design efficient photocatalysts
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy
ISBN/ISSN:
Poster
Conference / event / venue
MOFSIM2019
Ghent, Belgium
Wednesday, 10 April, 2019 to Friday, 12 April, 2019
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy
ISBN/ISSN:
Poster
Conference / event / venue
Computational spectroscopy: bridging theory and experiment
Como, Italy
Sunday, 9 September, 2018 to Friday, 14 September, 2018
Understanding the breathing behavior of the flexible metal-organic framework MIL-53(Al) using computational vibrational spectroscopy
ISBN/ISSN:
Poster
Conference / event / venue
Ab initio modeling in solid state chemistry
Torino, Italy
Sunday, 2 September, 2018 to Friday, 7 September, 2018
Unraveling the vibrational fingerprint of guest-loaded nanoporous materials through computational derivation and partitioning of IR and Raman spectra
Towards a molecular level understanding of chemical and physical phenomena in metal-organic frameworks
ISBN/ISSN:
Talk
Conference / event / venue
Congrès français des MOFs
Paris, France
Wednesday, 16 May, 2018 to Thursday, 17 May, 2018
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