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Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization

Catalysis Reticular Frameworks

Publication Details

  • Authors: J. Ye, L. Gagliardi, C. J. Cramer, and D. G. Truhlar
  • Publication Number: 291
  • Year: 2018
  • Journal: J. Catal.
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Full Citation

J. Ye, L. Gagliardi, C. J. Cramer, and D. G. Truhlar, Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization, J. Catal., 2018, 360, 160–167. DOI: 10.1016/j.jcat.2017.12.007