Interaction of biologically important organic molecules with the unsaturated copper centers of the HKUST-1 metal-organic framework: An ab-initio study

Journal of Physical Chemistry C

Volumn 119, Issue 6, 2015, Pages 3024-3032

  Supronowicz, Barbara ^a   Mavrandonakis, Andreas ^a   Heine, Thomas ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING ENERGY; BINDING SITES; CAFFEINE; CALCULATIONS; CARBOXYLATION; CARBOXYLIC ACIDS; COMPUTATION THEORY; COPPER; DENSITY FUNCTIONAL THEORY; DRUG DELIVERY; HYDROGEN BONDS; METAL-ORGANIC FRAMEWORKS; ORGANIC POLYMERS; ORGANOMETALLICS; PYRIDINE; SALINITY MEASUREMENT; UREA;

BINDING STRENGTH; CARBOXYLATE GROUPS; COMPUTATIONAL STUDIES; GUEST MOLECULES; INTERACTION ENERGIES; METALORGANIC FRAMEWORKS (MOFS); ORGANIC MOLECULES; STRONG INTERACTION;

MOLECULES;

EID: 84923163912     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp507144w     Document Type: Article

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