Structure and bonding in BAlH5 (B = Be, Ca, Sr) from first-principle calculations

Journal of Alloys and Compounds

Volumn 433, Issue 1-2, 2007, Pages 225-232

  Klaveness, A ^a   Vajeeston, P ^a   Ravindran, P ^a   Fjellvag H ^a   Kjekshus, A ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

Computer simulations; Crystal structure; Enthalpy; Hydrogen absorbing materials; Thermodynamic properties

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; CHEMICAL MODIFICATION; GROUND STATE; METASTABLE PHASES; MOLECULAR STRUCTURE;

BONDING ANALYSIS; CORNER SHARING; HYDROGEN ABSORBING MATERIALS; HYPOTHETICAL COMPOUNDS;

BORON COMPOUNDS;

EID: 33947097917     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2006.06.047     Document Type: Article

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