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Entrapment of Volatile Organic Compounds in Defective UiO-66 Metal-Organic-Framework: Ab Initio Molecular Dynamics Simulations at 300K

Conference ·
DOI:https://doi.org/10.2172/2540453· OSTI ID:2540453
 [1];  [2];  [2]
  1. Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
  2. New Mexico Tech
+ Show Author Affiliations
Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
DOE Contract Number:
NA0003525
OSTI ID:
2540453
Report Number(s):
SAND2024-01867C
Country of Publication:
United States
Language:
English

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