Zhao, Feng-Qi, Science and Technology on Combustion and Explosion Laboratory, Xian Modern Chemistry Research Institute, Xian 710065, China
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Journal of the Serbian Chemical Society Vol. 82 No. 2 (2017) - Theoretical Chemistry
DFT study on structure and stability of Al13Bn±m clusters
Abstract PDF (5.367 kB) Fig 1. Low-lying structures Fig 2. The deformation energy Fig 3. The average binding erergy Fig 4. The fragmentation energy Fig 5. The second-order difference energy Fig 6. HOMO-LUMO gap Fig 7. AEA-AIP Fig 8. Charge Response to Reviewers Corrected Fig. 7 The coordinates of Al13Bn clusters Response to Reviewers Corrected Fig. 1