Reaction of aluminum clusters with water

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Ohmura, Satoshi ^a,b   Shimojo, Fuyuki ^a,b   Kalia, Rajiv K ^a   Kunaseth, Manaschai ^a   Nakano, Aiichiro ^a   Vashishta, Priya ^a  

^a University of Southern California ^*  (United States)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; ACTIVATION FREE ENERGY; ALUMINUM CLUSTERS; ATOMISTIC MECHANISM; CLUSTER SURFACES; GROTTHUSS MECHANISM; HYDROGEN ATOMS; HYDROXIDE IONS; LEWIS ACID AND BASE; LEWIS ACIDS; PARALLEL COMPUTER; PROTON TRANSPORT; REACTION PATHS; TRANSITION STATE THEORIES; WATER MOLECULE;

ACTIVATION ENERGY; ALUMINUM; COMPUTER SIMULATION; HYDROGEN; IMPACT IONIZATION; MOLECULAR DYNAMICS; REACTION RATES;

HYDROGEN PRODUCTION;

EID: 79960157410     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3602326     Document Type: Article

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