Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)
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Title
Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 6, Pages 064703
Publisher
AIP Publishing
Online
2014-08-11
DOI
10.1063/1.4891578
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