Probing the structural and electronic properties of small aluminum dideuteride clusters.

@article{Shao2014ProbingTS,
  title={Probing the structural and electronic properties of small aluminum dideuteride clusters.},
  author={Peng Shao and Xiaoyu Kuang and Li-Ping Ding and M. Zhong and Y. Zhao},
  journal={Journal of molecular graphics & modelling},
  year={2014},
  volume={53},
  pages={168-178}
}
Adsorption of deuterium on the neutral and anionic Aln(λ) (n=1-9, 13; λ=0, -1) clusters has been investigated systematically using density functional theory. The comparisons between the Franck-Condon factor simulated spectra and the measured photoelectron spectroscopy (PES) of Cui and co-workers help to search for the ground-state structures. The results… CONTINUE READING