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Monte Carlo Simulations of Water Adsorption in Aluminum Oxide Rod-Based Metal–Organic Frameworks

Classical Simulations Reticular Frameworks

Publication Details

  • Authors: S. Chheda, W. Jeong, N. Hanikel, L. Gagliardi, and J. Siepmann
  • Publication Number: 445
  • Year: 2023
  • Journal: J. Phys. Chem. C
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Full Citation

S. Chheda, W. Jeong, N. Hanikel, L. Gagliardi, and J. Siepmann, Monte Carlo Simulations of Water Adsorption in Aluminum Oxide Rod-Based Metal–Organic Frameworks, J. Phys. Chem. C., 2023, 127, 7837–7851. DOI: 10.1021/acs.jpcc.3c00354