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Ab initio carbon capture in open-site metal–organic frameworks

Classical Simulations Electronic Structure - Modeling Properties Metal Organic Frameworks

Publication Details

  • Authors: A. L. Dzubak, L.-C. Lin, J. Kim, J. A. Swisher, R. Poloni, S. N. Maximoff, B. Smit, and L. Gagliardi
  • Publication Number: 150
  • Year: 2012
  • Journal: Nat. Chem.

Full Citation

A. L. Dzubak, L.-C. Lin, J. Kim, J. A. Swisher, R. Poloni, S. N. Maximoff, B. Smit, and L. Gagliardi, Ab initio carbon capture in open-site metal–organic frameworks, Nat. Chem., 2012, 4, 810–816. DOI: 10.1038/nchem.1432