| Guest dependent pressure behavior of the flexible MIL-53(Cr): A computational exploration. | |
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MedLine Citation:
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PMID: 22200051 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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Molecular dynamics simulations evidenced a structural transition of the flexible MIL-53(Cr) under a relatively moderate applied pressure ∼50 MPa. The incorporation of CO(2) within its porosity significantly shifts the onset of such a transformation at lower pressure while it decreases the bulk modulus of this solid. |
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Authors:
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Qintian Ma; Qingyuan Yang; Aziz Ghoufi; Gérard Férey; Chongli Zhong; Guillaume Maurin |
Publication Detail:
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Type: JOURNAL ARTICLE Date: 2011-12-23 |
Journal Detail:
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Title: Dalton transactions (Cambridge, England : 2003) Volume: - ISSN: 1477-9234 ISO Abbreviation: - Publication Date: 2011 Dec |
Date Detail:
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Created Date: 2011-12-26 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101176026 Medline TA: Dalton Trans Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
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State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, P.O. Box 100, Beijing, 100029, China. zhongcl@mail.buct.edu.cn. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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