Minimal basis set LCAO SCF calculations on SzN2, (SN)z, and (SN)3 have been carried out. A number of electronic configurations for each species were investigated. Triplet states of SzNz and <SN)= and a quartet state of (SN)3 were found to be lowest in energy at rhis level of calculation. The S2N2 mo
β¦ LIBER β¦
Molecular orbital studies of Al2F6 and Al2Cl6 using a minimal basis set
β Scribed by L. A. Curtiss
- Publisher
- John Wiley and Sons
- Year
- 1978
- Tongue
- English
- Weight
- 344 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0020-7608
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