Data for "Long-Range and Coupled Rotor Dynamics in NO2-MIL-53(Al) by Classical Molecular Dynamics"

S. Mula (Creator)
G.N.J.C. Bierkens (Creator)
Louis Vanduyfhuys (Creator)
M.A. van der Veen (Creator)

Dataset

Description

Supplementary information and raw data for force field generation, validation and molecular dynamics simulations in Nitro MIL53.

Date made available	9 Aug 2024
Publisher	TU Delft - 4TU.ResearchData

Contact person

Monique van der Veen

DOI
10.4121/08ed7ce7-fd71-4ace-a671-82a0a379c902

Long-Range and Coupled Rotor Dynamics in NO₂-MIL-53(Al) by Classical Molecular Dynamics
Mula, S., Bierkens, J., Vanduyfhuys, L. & van der Veen, M. A., 2024, In: Journal of Physical Chemistry C. 128, 47, p. 20264-20274 11 p.
Research output: Contribution to journal › Article › Scientific › peer-review

Open Access
File
2 Link opens in a new tab Citations (Scopus)

6 Downloads (Pure)
MOFs in Motion: Piezoelectricity and Rotational Dynamics of linkers in Metal-Organic Frameworks
Mula, S., 2024, 211 p.
Research output: Thesis › Dissertation (TU Delft)

Open Access
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65 Downloads (Pure)

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