agree, with 3x1 ~vcrago error of about lO%, ~4th accurate v&es from the litarature. The model us08 bond lengths and vibrational stretching force constants ns input nnd yields primitive molecular electronic structures 3s output.
Point charge models for LiH, CH4, and H2O
โ Scribed by A. D. Tait; G. G. Hall
- Publisher
- Springer
- Year
- 1973
- Tongue
- English
- Weight
- 644 KB
- Volume
- 31
- Category
- Article
- ISSN
- 1432-2234
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