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Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis

Catalysis Classical Simulations Reticular Frameworks

Publication Details

  • Authors: V. Bernales, M. A. Ortuño, D. G. Truhlar, C. J. Cramer, and L. Gagliardi
  • Publication Number: 284
  • Year: 2018
  • Journal: ACS Cent. Sci.
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Full Citation

V. Bernales, M. A. Ortuño, D. G. Truhlar, C. J. Cramer, and L. Gagliardi, Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis, ACS Cent. Sci., 2018, 4, 5–19. DOI: 10.1021/acscentsci.7b00500