Transition State Theory Methods to Measure Diffusion in Flexible Nanoporous Materials: Application to a Porous Organic Cage Crystal

Journal of Physical Chemistry C

Volumn 120, Issue 2, 2016, Pages 1110-1120

  Camp, Jeffrey S ^a   Sholl, David S ^a  

^a Georgia Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; CRYSTALLINE MATERIALS; IONIC CONDUCTION; MOLECULAR CRYSTALS; MOLECULAR DYNAMICS; NANOPORES; ORGANOMETALLICS; PLASMA INTERACTIONS; POROUS MATERIALS;

ADSORBATE DIFFUSION; COMPUTATIONALLY EFFICIENT; FLEXIBLE MATERIALS; FRAMEWORK FLEXIBILITY; METAL ORGANIC FRAMEWORK; NANO-POROUS MATERIALS; TRANSITION STATE THEORIES; UMBRELLA SAMPLING;

DIFFUSION;

EID: 84955455556     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b11111     Document Type: Article

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