Encapsulation of hydrogen molecule in fullerene (C60)

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 17, Issue 2, 2009, Pages 159-170

  Riahi, Siavash ^a   Pourhossein, Parisa ^a   Zolfaghari, Alireza ^b   Ganjali, Mohammad Reza ^a   Jooya, Hossein Zolfghari ^b  

^a UNIVERSITY OF TEHRAN   (Iran)

^b CHEMISTRY AND CHEMICAL ENGINEERING RESEARCH CENTER OF IRAN   (Iran)

Author keywords

Density functional theory; Fullerene; Hydrogen adsorption; Molecular dynamics simulation

Indexed keywords

DYNAMICS; ELECTRONIC PROPERTIES; FULLERENES; GAS ADSORPTION; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PHYSISORPTION;

B3LYP/6-31G; DENSITY FUNCTIONAL THEORY CALCULATIONS; HYDROGEN ADSORPTION; HYDROGEN MOLECULES; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATION; MONITORING SYSTEMS; WEAK INTERACTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 61549096022     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/15363830802671999     Document Type: Article

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