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

Authors:
ORCiD logo [1];  [1];  [2]; ORCiD logo [3]
  1. 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
  2. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States
  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
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1388600
DOE Contract Number:  
SC0001015
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry Letters; Journal Volume: 8; Journal Issue: 2; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University
Country of Publication:
United States
Language:
English
Subject:
membrane, carbon capture, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Boyd, Peter G., Moosavi, Seyed Mohamad, Witman, Matthew, and Smit, Berend. Force-Field Prediction of Materials Properties in Metal-Organic Frameworks. United States: N. p., 2017. Web. doi:10.1021/acs.jpclett.6b02532.
Boyd, Peter G., Moosavi, Seyed Mohamad, Witman, Matthew, & Smit, Berend. Force-Field Prediction of Materials Properties in Metal-Organic Frameworks. United States. doi:10.1021/acs.jpclett.6b02532.
Boyd, Peter G., Moosavi, Seyed Mohamad, Witman, Matthew, and Smit, Berend. Tue . "Force-Field Prediction of Materials Properties in Metal-Organic Frameworks". United States. doi:10.1021/acs.jpclett.6b02532.
@article{osti_1388600,
title = {Force-Field Prediction of Materials Properties in Metal-Organic Frameworks},
author = {Boyd, Peter G. and Moosavi, Seyed Mohamad and Witman, Matthew and Smit, Berend},
abstractNote = {},
doi = {10.1021/acs.jpclett.6b02532},
journal = {Journal of Physical Chemistry Letters},
number = 2,
volume = 8,
place = {United States},
year = {Tue Jan 03 00:00:00 EST 2017},
month = {Tue Jan 03 00:00:00 EST 2017}
}