Computational screening of metal catecholates for ammonia capture in metal-organic frameworks

Industrial and Engineering Chemistry Research

Volumn 54, Issue 13, 2015, Pages 3257-3267

  Kim, Ki Chul ^a,c   Moghadam, Peyman Z ^a   Fairen Jimenez, David ^b   Snurr, Randall Q ^a  

^a Northwestern University   (United States)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c Georgia Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; BINDING ENERGY; METAL-ORGANIC FRAMEWORKS; ORGANOMETALLICS; QUANTUM CHEMISTRY;

CATECHOLATE; COMPETITIVE BINDING; DRY CONDITION; HUMID CONDITIONS; METAL CATECHOLATES; METALORGANIC FRAMEWORKS (MOFS); PRESENCE OF WATER; QUANTUM-CHEMICAL METHODS;

METALS;

EID: 84927545987     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie504945w     Document Type: Article

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