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 method: Calculation of the ethylene force field
✍ Scribed by J. Paldus; P. Hrabě
- Publisher
- Springer
- Year
- 1968
- Tongue
- English
- Weight
- 566 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1432-2234
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