Modeling the hydrogen storage materials with exposed M2+ coordination sites

Journal of Physical Chemistry C

Volumn 112, Issue 42, 2008, Pages 16171-16173

  Kosa, Monica ^a   Krack, Matthias ^b   Cheetham, Anthony K ^c   Parrinello, Michele ^a  

^a ETH ZURICH   (Switzerland)

^b PAUL SCHERRER INSTITUTE   (Switzerland)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; HYBRID MATERIALS; HYDROGEN; HYDROGEN STORAGE; MAGNESIUM PRINTING PLATES; NICKEL ALLOYS;

BINDING MODES; COMPUTATIONAL RESULTS; COORDINATION SITES; DIHYDROGEN MOLECULES; FIRST-PRINCIPLES CALCULATIONS; GEOMETRICAL ARRANGEMENTS; METAL CENTERS; NANOPOROUS; ORGANIC FRAMEWORKS; STORAGE MATERIALS;

BINDING SITES;

EID: 55649088947     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp806394g     Document Type: Article

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