Pseudopotential ab initio calculations at the SCF level have ken performed on the potential surface of H,P-H-X (X = F, Cl, Br, I) and (CH&P-H-I. In all cases a minimum structure results corresponding to a hydrogen bond complex. For the system with the stronger basic trimethylphosphine, a second mini
β¦ LIBER β¦
AB-Initio calculation of chemical bonding in the low temperature phases of silver halides
β Scribed by Wanda Andreoni; Klaus Maschke
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 193 KB
- Volume
- 9-10
- Category
- Article
- ISSN
- 0167-2738
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