Atomic property weighted radial distribution functions descriptors of metal-organic frameworks for the prediction of gas uptake capacity

Journal of Physical Chemistry C

Volumn 117, Issue 27, 2013, Pages 14095-14105

  Fernandez, Michael ^a   Trefiak, Nicholas R ^a   Woo, Tom K ^a  

^a UNIVERSITY OF OTTAWA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

GRAND-CANONICAL MONTE CARLO; HIGH-THROUGHPUT SCREENING; METAL ORGANIC FRAMEWORK; METALORGANIC FRAMEWORKS (MOFS); PRINCIPAL COMPONENT ANALYSIS TRANSFORMS; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; RADIAL DISTRIBUTION FUNCTIONS; STRUCTURAL BUILDING UNITS;

CARBON DIOXIDE; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; DISTRIBUTION FUNCTIONS; FORECASTING; GAS ADSORPTION; JAVA PROGRAMMING LANGUAGE; METHANE; MONTE CARLO METHODS; POROUS MATERIALS; PRINCIPAL COMPONENT ANALYSIS; TOOLS;

STRUCTURAL PROPERTIES;

EID: 84880145352     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp404287t     Document Type: Article

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