Accurate Prediction of Methane Adsorption in a Metal–Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation

Published 2011 View Full Article

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Title
Accurate Prediction of Methane Adsorption in a Metal–Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation
Authors
Keywords
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Journal
Journal of Physical Chemistry C
Volume 115, Issue 46, Pages 23074-23080
Publisher
American Chemical Society (ACS)
Online
2011-10-18
DOI
10.1021/jp2090878

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