Yu, Jun-Zai, Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, 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