The reliability of various modiGcations of the extended-Hiickel m&hod in calculating several energy-related quantities was investigated for a group of diatomic mo!ecules. It was found that the total ener,gy cdn be computed fairly accurately, the nccuracy increasing ns the charge distribution is more
✦ LIBER ✦
Extended Hückel calculations onn-vaddition compounds
✍ Scribed by Shanti A. Kudchadker; C. N. R. Rao
- Publisher
- Springer
- Year
- 1970
- Tongue
- English
- Weight
- 141 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1432-2234
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