Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis

Bernales, Varinia; Ortuño, Manuel A.; Truhlar, Donald G.; Cramer, Christopher J.; Gagliardi, Laura

doi:10.1021/acscentsci.7b00500

Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis

Journal Article · Wed Dec 20 23:00:00 EST 2017 · ACS Central Science

DOI:https://doi.org/10.1021/acscentsci.7b00500· OSTI ID:1414490

Bernales, Varinia ^[1]; ^[1]; ^[1]; ^[1]; ^[1]

Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012702

OSTI ID:: 1414490

Alternate ID(s):: OSTI ID: 1508322
OSTI ID: 1470248

Journal Information:: ACS Central Science, Journal Name: ACS Central Science Journal Issue: 1 Vol. 4; ISSN 2374-7943

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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