Dynamical behavior of one-dimensional water molecule chains in zeolites: Nanosecond time-scale molecular dynamics simulations of bikitaite

Journal of Chemical Physics

Volumn 120, Issue 19, 2004, Pages 9233-9244

  Demontis, Pierfranco ^a   Stara, Giovanna ^a   Suffritti, Giuseppe B ^a  

^a UNIVERSITY OF SASSARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; COMPUTER SIMULATION; DEHYDRATION; DIFFUSION; HIGH TEMPERATURE EFFECTS; HYDRATION; HYDROGEN BONDS; LITHIUM; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NUCLEATION; PHASE TRANSITIONS; POROUS MATERIALS; STATISTICAL METHODS; SUPERCRITICAL FLUIDS;

BIKITAITE; BIMODAL DISTRIBUTIONS; CAR-PARRINELLO MOLECULAR DYNAMICS (CPMD); MEAN SQUARE DISPLACEMENT (MSD);

ZEOLITES;

EID: 2942592311     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1697382     Document Type: Article

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