✦ LIBER ✦
A Hartree—Fock study of the methyl anion and its inversion potential surface: Use of an augmented basis set for this species
✍ Scribed by A.J. Duke
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 580 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The addition of diffuse functions to the basis set is shown to be important in obtaining an adequate Kutiee-Fock representation of the methyl anion CH;. The minimum potential energy curve for pyramidal inversion or' the ion is presented.