The electronic structure of crystalline silver chloride has been studied with the ab initio Bartree-Fock program CRYSTAL. Pseudopotentials have been used for describing core electrons. The total energy versus lattice parameter curve was calculated in order to optimize the equilibrium geometry and fo
✦ LIBER ✦
An ab initio Hartree-Fock study of the zwitterion of sulphamic acid, +H3NSO3−
✍ Scribed by S.J. Hickling; R.G. Woolley
- Book ID
- 107734891
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 491 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0009-2614
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