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Discovery of Stacking Heterogeneity, Layer Buckling, and Residual Water in COF-999-NH2 and Implications on CO2 Capture

Classical Simulations Reticular Frameworks

Publication Details

  • Authors: H. Daglar, Z. Zhou, R. Zhu, P. Parihar, J. I. Siepmann, O. M. Yaghi, and L. Gagliardi
  • Publication Number: 515
  • Year: 2025
  • Journal: J. Am. Chem. Soc.

Full Citation

H. Daglar, Z. Zhou, R. Zhu, P. Parihar, J. I. Siepmann, O. M. Yaghi, and L. Gagliardi, Discovery of Stacking Heterogeneity, Layer Buckling, and Residual Water in COF-999-NH2 and Implications on CO2 Capture, J. Am. Chem. Soc., 2025. DOI: 10.1021/jacs.5c18608