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Volumn 6, Issue 21, 2015, Pages 4365-4370

Hydrothermal Breakdown of Flexible Metal-Organic Frameworks: A Study by First-Principles Molecular Dynamics

Author keywords

ab initio; DFT; flexibility; hydrothermal stability; MIL 53; NPT; soft porous crystals

Indexed keywords

ACTIVATION ENERGY; CRYSTAL STRUCTURE; CRYSTALLINE MATERIALS; FREE ENERGY; ORGANOMETALLICS; STABILITY;

EID: 84946822800     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b01926     Document Type: Article
Times cited : (26)

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