The acidities, deprotonation energies, of water and methanol were calculated by the use of the ab initio self-consistent-field (SCF) molecular orbital (MO) method with electron correlation computed by the thirdorder Meller-Plesset perturbation method and configuration interaction with double excitat
Ab initioMO-SCF calculation on a model of anomalous water
β Scribed by J. R. Sabin; R. E. Harris; T. W. Archibald; P. A. Kollman; L. C. Allen
- Publisher
- Springer
- Year
- 1970
- Tongue
- English
- Weight
- 258 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1432-2234
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