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Combined Quantum Mechanical and Molecular Mechanical Method for Metal-Organic Frameworks: Proton Topologies of NU-1000

Catalysis Reticular Frameworks

Publication Details

  • Authors: X.-P. Wu, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 283
  • Year: 2018
  • Journal: Phys. Chem. Chem. Phys.
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Full Citation

X.-P. Wu, D. G. Truhlar, and L. Gagliardi , Combined Quantum Mechanical and Molecular Mechanical Method for Metal-Organic Frameworks: Proton Topologies of NU-1000, Phys. Chem. Chem. Phys., 2018, 20, 1778–1786. DOI: 10.1039/C7CP06751H