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Title
Simulation and modelling of MOFs for hydrogen storage
Authors
Keywords
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Journal
CRYSTENGCOMM
Volume 17, Issue 2, Pages 261-275
Publisher
Royal Society of Chemistry (RSC)
Online
2014-10-30
DOI
10.1039/c4ce01711k
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- (2014) Michael Fischer et al. MOLECULAR SIMULATION
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- (2010) Patrick J. Beldon et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
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