期刊
CHEMICAL PHYSICS LETTERS
卷 487, 期 1-3, 页码 19-23出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2010.01.022
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资金
- Polish State Committee for Scientific Research [DS/8371-4-0137-9]
- Academic Computer Center in Gdansk (TASK)
The vertical electron detachment energies (VDE) of a series of [HnFn+1](-) anions (where n = 1-5, 7, 9, 12) were calculated at the outer valence Green function level with the 6-311++G(3df,3pd) basis sets. Enormously large electron binding energies of these anions (in the 6.98-13.87 eV range) were predicted and discussed. The [H12F13] species with the VDE of 13.87 eV was identified as the most strongly bound anion studied and described in the literature thus far. (C) 2010 Elsevier B.V. All rights reserved.
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