%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