Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

Boyd, Peter G.; Moosavi, Seyed Mohamad; Witman, Matthew; Smit, Berend

doi:10.1021/acs.jpclett.6b02532

Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

Journal Article · Mon Jan 02 23:00:00 EST 2017 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.6b02532· OSTI ID:1338262

^[1]; Moosavi, Seyed Mohamad ^[1]; Witman, Matthew ^[2]; ^[3]

Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Valais, Switzerland
Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States
Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Valais, Switzerland, Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States

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

Grant/Contract Number:: SC0001015

OSTI ID:: 1338262

Alternate ID(s):: OSTI ID: 1340673

Journal Information:: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 2 Vol. 8; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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