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The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separationFootnote^*
* Official contribution of the National Institute of Standards and Technology; not subject to copyright in the United States. Certain commercially available items may be identified in this paper. This identification does not imply recommendation by NIST, nor does it imply that it is the best available for the purposes described.

Arni SturlusonSchool of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, OR, USAView further author information

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Melanie T. HuynhSchool of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, OR, USAView further author information

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Alec R. KaijaDepartment of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA, USAView further author information

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Caleb LairdSchool of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, OR, USAView further author information

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Sunghyun YoonSchool of Chemical and Biomolecular Engineering, Pusan National University, Busan, South KoreaView further author information

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Feier HouDepartment of Chemistry, Western Oregon University, Monmouth, OR, USAView further author information

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Zhenxing FengSchool of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, OR, USAView further author information

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Christopher E. WilmerDepartment of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA, USACorrespondence[email protected]
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Yamil J. ColónDepartment of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN, USACorrespondence[email protected]
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Yongchul G. ChungSchool of Chemical and Biomolecular Engineering, Pusan National University, Busan, South KoreaCorrespondence[email protected]
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Daniel W. SideriusChemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, MD, USACorrespondence[email protected]
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Cory M. SimonSchool of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, OR, USACorrespondence[email protected]
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