## A representative SCF Xa calculanon IS presented for ClO, usmg dummy spheres III an attempt to unprove the formal mterspherc region where the potential IS taken to be a constant. Such spheres appear to have mimmal effect on all derrved quantltles, howeber.
MS-SCF-Xα calculation of the rotational barriers in ethane-like molecules
✍ Scribed by Giancarlo De Alti; Piero Decleva; Adriana Lisini
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 543 KB
- Volume
- 66
- Category
- Article
- ISSN
- 0022-2860
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