@article{1402-4896-77-2-025602,
  author={M Böyükata and C Özdoğan and Z B Güvenç},
  title={Effects of hydrogen hosting on cage structures of boron clusters: density functional study of B m H n ( m = 5–10 and n ≤ m ) complexes},
  journal={Physica Scripta},
  volume={77},
  number={2},
  pages={025602},
  url={http://stacks.iop.org/1402-4896/77/i=2/a=025602},
  year={2008},
  abstract={The structural stability of hydrogen bonded boron microclusters has been studied by using the density functional theory. Effects of the increasing number of hydrogen atoms on the cage geometries of B 5 –B 10 clusters, and the distortion of the cage configurations of the boranes are assessed. The possible stable structures of B m H n ( m =5–10 and n ≤ m ) boron hydrides, their binding energies, HOMO–LUMO energy gaps and the total atomic charges of the B m in the complexes are determined. For the series of B 5 H n , B 7 H n , and B 9 H n major structural changes are observed.}
}