Computation-ready, experimental metal-organic frameworks: A tool to enable high-throughput screening of nanoporous crystals

Chemistry of Materials

Volumn 26, Issue 21, 2014, Pages 6185-6192

  Chung, Yongchul G ^a   Camp, Jeffrey ^c   Haranczyk, Maciej ^d   Sikora, Benjamin J ^a   Bury, Wojciech ^b,e   Krungleviciute, Vaiva ^f,g   Yildirim, Taner ^f,g   Farha, Omar K ^b,h   Sholl, David S ^c   Snurr, Randall Q ^a  

^a Northwestern University   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

^c Georgia Institute of Technology   (United States)

^d LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^e WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

^f NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^g UNIVERSITY OF PENNSYLVANIA   (United States)

^h KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLINE MATERIALS; DATABASE SYSTEMS; DIGITAL STORAGE; INTELLIGENT SYSTEMS; JAVA PROGRAMMING LANGUAGE; METHANE; MONTE CARLO METHODS; ORGANIC POLYMERS; ORGANOMETALLICS; THROUGHPUT;

GRAND CANONICAL MONTE CARLO SIMULATION; HIGH THROUGHPUT SCREENING; METAL ORGANIC FRAMEWORK; METALORGANIC FRAMEWORKS (MOFS); METHANE ADSORPTION; MOLECULAR SIMULATIONS; NANOPOROUS CRYSTALS; PHYSICAL AND CHEMICAL PROPERTIES;

CRYSTAL ATOMIC STRUCTURE;

EID: 84922469213     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm502594j     Document Type: Article

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