The ability of approximate Density Functional Theory to calculate molecular electron affinities has been probed by a series of calculations on the hydrides CH,,, NH2, OH, and HC, as well as the multibonded species CN, BO, N1, OCN, and NO,. The simple Hartree-Fock Slater scheme lacks dynamic correlat
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Describing Anions by Density Functional Theory: Fractional Electron Affinity
β Scribed by Jensen, Frank
- Book ID
- 118201185
- Publisher
- American Chemical Society
- Year
- 2010
- Tongue
- English
- Weight
- 533 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1549-9618
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