Isomers and conformers of H(NH2BH2)nH oligomers: Understanding the geometries and electronic structure of boron-nitrogen-hydrogen compounds as potential hydrogen storage materials

Journal of Physical Chemistry C

Volumn 111, Issue 8, 2007, Pages 3294-3299

  Li, Jun ^a   Kathmann, Shawn M ^b   Schenter, Gregory K ^b   Gutowski, Maciej ^b,c,d  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c HERIOT WATT UNIVERSITY   (United Kingdom)

^d UNIVERSITY OF GDA SK   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BIRADICALIZATION; HYDROGEN STORAGE MATERIALS; LINEAR CHAIN STRUCTURES;

CONFORMATIONS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY STORAGE; ISOMERS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

OLIGOMERS;

EID: 33947391748     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp066360b     Document Type: Article

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