DFT Calculations of the Electron Affinities of Nucleic Acid Bases: Dealing with Negative Electron Affinities
β Scribed by Li, Xifeng; Cai, Zhongli; Sevilla, Michael D.
- Book ID
- 124093712
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 870 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
A theory of photoelectron relaxation in the surface energy well (SEW) of a semiconductor with negative electron affinity in the case when SEW is quasiclassical (moderate doping level) is developed. An expression is derived for the density of the emission current. By comparison of the shape of the ca
Self-consistent field model potential (hlODPOT/SCF) and model potential configuration intcrxtion (XlODPOT/Ci) czku-l&Ions have been carried out on the Li, Na and K atoms and on the LI-, Na-and K-anions. Only the \zdence electrons nerc considered explicitly. The effect of the core electrons aas taken