Quantum dynamics of hydrogen interacting with single-walled carbon nanotubes: Multiple H-atom adsorbates

Journal of Chemical Physics

Volumn 134, Issue 7, 2011, Pages

  McAfee, Jason L ^a,b   Poirier, Bill ^a  

^a TEXAS TECH UNIVERSITY   (United States)

^b UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; ATOMS; BINDING ENERGY; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DYNAMICS; HYDROGEN STORAGE; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; YARN;

DISCRETE VARIABLE REPRESENTATION; EXPANSION COEFFICIENTS; FULL THREE-DIMENSIONAL; LONG RANGE CORRELATIONS; POTENTIAL HYDROGENS; QUANTUM DYNAMICS CALCULATIONS; ROVIBRATIONAL STATE; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 79951928307     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3537793     Document Type: Article

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