%0 Journal Article
%T Stability and aromaticity of nH2@B12N12 (n=1¨C12) clusters
%A Santanab Giri
%A Arindam Chakraborty
%A Pratim K. Chattaraj
%J Nano Reviews
%D 2011
%I 
%R 10.3402/nano.v2i0.5767
%X Standard ab initio and density functional calculations are carried out to determine the structure, stability, and reactivity of B12N12 clusters with hydrogen doping. To lend additional support, conceptual DFT-based reactivity descriptors and the associated electronic structure principles are also used. Related cage aromaticity of this B12N12 and nH2@B12N12 are analyzed through the nucleus independent chemical shift values.
%K hydrogen storage
%K metal cluster
%K conceptual DFT
%K aromaticity
%U http://www.nano-reviews.net/index.php/nano/article/view/5767/8232