Computational study of propylene and propane binding in metal-organic frameworks containing highly exposed Cu+ or Ag+ cations

Journal of Physical Chemistry C

Volumn 118, Issue 17, 2014, Pages 9086-9092

  Kim, Ki Chul ^a   Lee, Chang Yeon ^b,c   Fairen Jimenez, David ^d   Nguyen, Sonbinh T ^b   Hupp, Joseph T ^b   Snurr, Randall Q ^a  

^a Northwestern University   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

^c SolarLight Ltd   (South Korea)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; CRYSTALLINE MATERIALS; POSITIVE IONS; PROPANE; PROPYLENE; QUANTUM CHEMISTRY; SILVER;

ADSORPTION SEPARATION; COMPUTATIONAL STUDIES; METAL ORGANIC FRAMEWORK; METALORGANIC FRAMEWORKS (MOFS); MONOVALENT METALS; POST-SYNTHESIS MODIFICATION; QUANTUM CHEMICAL CALCULATIONS; THERMODYNAMIC FEASIBILITY;

METALS;

EID: 84899803346     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp502137j     Document Type: Article

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