Coupling solid-state NMR with GIPAW ab initio calculations in metal hydrides and borohydrides

Journal of Physical Chemistry C

Volumn 117, Issue 19, 2013, Pages 9991-9998

  Franco, Federico ^a   Baricco, Marcello ^a   Chierotti, Michele R ^a   Gobetto, Roberto ^a   Nervi, Carlo ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL THEORIES (DFT); GENERALIZED GRADIENT APPROXIMATIONS; HYDROGEN-STORAGE MATERIALS; PERDEW-BURKE-ERNZERHOF; PLANE WAVE METHODS; PROJECTOR AUGMENTED WAVES; ULTRASOFT PSEUDO POTENTIAL;

CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; HYDRIDES; HYDROGEN STORAGE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

SOLID STATE PHYSICS;

EID: 84878034410     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3126895     Document Type: Article

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