skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Performance of van der Waals Corrected Functionals for Guest Adsorption in the M 2 (dobdc) Metal–Organic Frameworks

Authors:
ORCiD logo; ;  [1]; ; ;  [2]; ;  [3];  [4]; ORCiD logo [5]; ORCiD logo [6]
  1. Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States, Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20742 United States
  2. Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720, United States
  3. Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States, Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware 19716, United States
  4. Department of Earth Sciences, Thomas Young Centre and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT, United Kingdom
  5. London Centre for Nanotechnology and Department of Physics and Astronomy, Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, United Kingdom
  6. Institut des Sciences et Ingénierie Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne, Rue de l’Industrie 17, CH-1951 Sion, Switzerland
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1372708
Grant/Contract Number:
SC0001015
Resource Type:
Journal Article: Published Article
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 121; Journal Issue: 21; Related Information: CHORUS Timestamp: 2017-11-27 15:51:28; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

Citation Formats

Vlaisavljevich, Bess, Huck, Johanna, Hulvey, Zeric, Lee, Kyuho, Mason, Jarad A., Neaton, Jeffrey B., Long, Jeffrey R., Brown, Craig M., Alfè, Dario, Michaelides, Angelos, and Smit, Berend. Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2 (dobdc) Metal–Organic Frameworks. United States: N. p., 2017. Web. doi:10.1021/acs.jpca.7b00076.
Vlaisavljevich, Bess, Huck, Johanna, Hulvey, Zeric, Lee, Kyuho, Mason, Jarad A., Neaton, Jeffrey B., Long, Jeffrey R., Brown, Craig M., Alfè, Dario, Michaelides, Angelos, & Smit, Berend. Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2 (dobdc) Metal–Organic Frameworks. United States. doi:10.1021/acs.jpca.7b00076.
Vlaisavljevich, Bess, Huck, Johanna, Hulvey, Zeric, Lee, Kyuho, Mason, Jarad A., Neaton, Jeffrey B., Long, Jeffrey R., Brown, Craig M., Alfè, Dario, Michaelides, Angelos, and Smit, Berend. Mon . "Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2 (dobdc) Metal–Organic Frameworks". United States. doi:10.1021/acs.jpca.7b00076.
@article{osti_1372708,
title = {Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2 (dobdc) Metal–Organic Frameworks},
author = {Vlaisavljevich, Bess and Huck, Johanna and Hulvey, Zeric and Lee, Kyuho and Mason, Jarad A. and Neaton, Jeffrey B. and Long, Jeffrey R. and Brown, Craig M. and Alfè, Dario and Michaelides, Angelos and Smit, Berend},
abstractNote = {},
doi = {10.1021/acs.jpca.7b00076},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 21,
volume = 121,
place = {United States},
year = {Mon Apr 24 00:00:00 EDT 2017},
month = {Mon Apr 24 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1021/acs.jpca.7b00076

Citation Metrics:
Cited by: 3works
Citation information provided by
Web of Science

Save / Share: