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Challenge of Small Energy Differences in Metal–Organic Framework Reactivity

Catalysis Electronic Structure - Modeling Properties Reticular Frameworks

Publication Details

  • Authors: N. Dohrmann, D. S. King, C. A. Gaggioli, and L. Gagliardi
  • Publication Number: 453
  • Year: 2023
  • Journal: J. Phys. Chem. C
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Full Citation

N. Dohrmann, D. S. King, C. A. Gaggioli, and L. Gagliardi, Challenge of Small Energy Differences in Metal–Organic Framework Reactivity, J. Phys. Chem. C, 2023, 127, 16891–16900. DOI: 10.1021/acs.jpcc.3c03888