Ionization potential of excited states have been calculated for the 1s 2 2s 2 2p 2 3 P 2 , 1s 2 2s 2 2p3s 3 P 0 2 , 1s 2 2s 2 2p3d 3 D 0 3 , 1s 2 2s 2 2p3d 1 F 0 3 , and 1s 2 2s 2 2p4d 3 D 0 3 series of carbon-like sequence from Z ΒΌ 6 to Z ΒΌ 23 on the basis of the weakest bound electron potential mo
β¦ LIBER β¦
Ionization potentials of carbon tetraiodide and tetraiodoethylene in the solid state
β Scribed by Naoki Sato; Hiroo Inokuchi
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 781 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0301-0104
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The vertical ionization potentials of nine small molecules were computed by the deMon density functional program and different versions of the transition-state method and the results were compared with earlier calculations and with experiment. The average absolute deviation of the 38 computed ioniza