Investigating water and framework dynamics in pillared MOFs

Molecular Simulation

Volumn 41, Issue 16-17, 2015, Pages 1379-1387

  Burtch, Nicholas C ^a   Dubbeldam, David ^b   Walton, Krista S ^a  

^a Georgia Institute of Technology   (United States)

^b UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

adsorbate density distribution; auto correlation function; metal organic frameworks; radial distribution function; water stability

Indexed keywords

METAL-ORGANIC FRAMEWORKS; ORGANOMETALLICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; THERMAL EXPANSION;

AUTOCORRELATION FUNCTIONS; DENSITY DISTRIBUTIONS; DYNAMICAL PROPERTIES; ELECTROSTATIC POTENTIAL ENERGY; FRAMEWORK FLEXIBILITY; MOLECULAR SIMULATIONS; RADIAL DISTRIBUTION FUNCTIONS; WATER STABILITY;

DISTRIBUTION FUNCTIONS;

EID: 84941418681     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2015.1030861     Document Type: Article

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