Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials

Chemical Physics Letters

Volumn 467, Issue 1-3, 2008, Pages 126-130

  Kolmann, Stephen J ^a   Chan, Bun ^a   Jordan, Meredith J T ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BENZENE; BINDING SITES; DENSITY FUNCTIONAL THEORY; FLOW INTERACTIONS; HYDROGEN; HYDROGEN STORAGE; LITHIUM; NUCLEAR ENERGY; ORGANIC CARBON; ORGANOMETALLICS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

AB INITIO; CCSD; DFT METHODS; DOPED CARBONS; DOPED MATERIALS; EXTENDED MODELS; HYDROGEN MOLECULES; LI ATOMS; LOCAL INTERACTIONS; METAL ORGANIC; MODEL COMPOUNDS; MOLECULAR HYDROGENS; STORAGE MATERIALS;

BINDING ENERGY;

EID: 57049112038     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.10.081     Document Type: Article

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