Potential use of some metal clusters as hydrogen storage materials-a conceptual DFT approach

Journal of Molecular Modeling

Volumn 17, Issue 4, 2011, Pages 777-784

  Giri, Santanab ^a   Chakraborty, Arindam ^a   Chattaraj, Pratim Kumar ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

Author keywords

Aromaticity; Conceptual DFT; Hydrogen storage; Metal cluster

Indexed keywords

CALCIUM; HYDROGEN; LITHIUM; MAGNESIUM; METAL; SODIUM;

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTROPHILICITY; HARDNESS; HYDROGEN BOND; HYDROGEN STORAGE; METABOLISM; MOLECULAR STABILITY; NUCLEOPHILICITY; PRIORITY JOURNAL; THERMODYNAMICS;

COMPUTER SIMULATION; HYDROGEN; METALS; MODELS, CHEMICAL;

EID: 78651386780     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0761-1     Document Type: Article

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