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

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Authors: Bess Vlaisavljevich, Johanna Huck, Zeric Hulvey, Kyuho Lee, Jarad A. Mason, Jeffrey B. Neaton, Jeffrey R. Long, Craig M. Brown, Dario Alfè, Angelos Michaelides, Berend Smit

Journal title: The Journal of Physical Chemistry A

Journal number: 121/21

Journal publisher: American Chemical Society

Published year: 2017

Published pages: 4139-4151

DOI identifier: 10.1021/acs.jpca.7b00076

ISSN: 1089-5639