Free energy of ligand removal in the metal-organic framework UiO-66

Journal of Physical Chemistry C

Volumn 120, Issue 17, 2016, Pages 9276-9281

  Bristow, Jessica K ^a   Svane, Katrine L ^a   Tiana, Davide ^a   Skelton, Jonathan M ^a   Gale, Julian D ^b   Walsh, Aron ^a,c  

^a University of Bath   (United Kingdom)

^b CURTIN UNIVERSITY   (Australia)

^c Yonsei University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLATION; CRYSTALLINE MATERIALS; FREE ENERGY; LIGANDS; ORGANIC POLYMERS; ORGANOMETALLICS; QUANTUM CHEMISTRY;

CAPPING MECHANISM; DEFECT CONCENTRATIONS; DEFECT FORMATION; DRIVING FORCES; METAL ORGANIC FRAMEWORK; MOLECULAR AGGREGATE; QUANTUM-CHEMICAL METHODS; STRUCTURAL INSTABILITY;

DEFECTS;

EID: 84969188104     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b01659     Document Type: Article

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