Magnesium amidoborane monoammoniate: Plane-wave DFT calculations

Chemical Physics Letters

Volumn 545, Issue , 2012, Pages 26-28

  Gotsis, H J ^a   Russo, N ^a   Sicilia, E ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COVALENT NATURE; DENSITY FUNCTIONALS; DFT CALCULATION; ELECTRONIC AND STRUCTURAL PROPERTIES; FUNCTIONAL APPROACH; GAP SIZE; GENERALIZED GRADIENT APPROXIMATIONS; HYDROGEN CONTENTS; PERDEW-BURKE-ERNZERHOF; PLANE WAVE; SEMI-EMPIRICAL;

DENSITY FUNCTIONAL THEORY; HYDROGEN STORAGE; STRONTIUM COMPOUNDS;

MAGNESIUM;

EID: 84865568930     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.06.062     Document Type: Article

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