Molecular-dynamics analysis of the diffusion of molecular hydrogen in all-silica sodalite

Journal of Chemical Physics

Volumn 120, Issue 21, 2004, Pages 10285-10289

  Van Den Berg, A W C ^a   Bromley, S T ^a   Flikkema, E ^a   Wojdel, J ^a   Maschmeyer, Th ^a,b   Jansen, J C ^a  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; DIFFUSION IN GASES; ENCAPSULATION; HELIUM; HYDROGEN; PHASE TRANSITIONS; POROUS SILICON; ZEOLITES;

GAS MOLECULES; MOLECULAR DYNAMIC SIMULATIONS; SELF DIFFUSION; TRANSITION STATE THEORY (TST);

MOLECULAR DYNAMICS;

EID: 2942672762     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1737368     Document Type: Article

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