Computational approaches to study adsorption in MOFs with unsaturated metal sites

Molecular Simulation

Volumn 40, Issue 7-9, 2014, Pages 537-556

  Fischer, Michael ^a   Gomes, José R B ^b   Jorge, Miguel ^c  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF AVEIRO   (Portugal)

^c UNIVERSITY OF STRATHCLYDE   (United Kingdom)

Author keywords

adsorption; density functional theory; MOFs; Monte Carlo simulation; multiscale modelling; open metal sites

Indexed keywords

EID: 84893958895     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2013.829228     Document Type: Article

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