Simulation study of CO2 adsorption properties in small Zeolite Imidazolate Frameworks

Chemical Physics Letters

Volumn 580, Issue , 2013, Pages 99-102

  Rana, Malay Kumar ^a,c   Suffritti, Giuseppe Baldovino ^a   Demontis, Pierfranco ^a   Masia, Marco ^a,b  

^a UNIVERSITY OF SASSARI   (Italy)

^b GOETHE UNIVERSITY   (Germany)

^c UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION PROPERTIES; BORN-OPPENHEIMER MOLECULAR DYNAMICS; FIRST PRINCIPLES; GRAND CANONICAL MONTE CARLO SIMULATION; PREFERENTIAL ADSORPTION; SIMULATION STUDIES; STRUCTURAL DETAILS; UPTAKE CAPACITY;

ADSORPTION; MOLECULAR DYNAMICS; MONTE CARLO METHODS;

CARBON DIOXIDE;

EID: 84880920966     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.06.062     Document Type: Article

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