Employing a CI wavefunction with a DZ + (2d) basis set, the isotropic hyperflne splitting constants for the F and Cl nuclei in the gas-phase radical anions FCl-and Cl, were evaluated. The ionization potentials are calculated as 2.1 O-2.27 eV for FCl-and 2.22-2.28 eV for Cl;, the latter comparing wel
β¦ LIBER β¦
Ionization potential and hyperfine splitting constant of the molecular fluorine radical anion. An ab initio study
β Scribed by Nguyen Minh Tho, .; Ha, Tae Kyu.
- Book ID
- 127041025
- Publisher
- American Chemical Society
- Year
- 1987
- Tongue
- English
- Weight
- 265 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0022-3654
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