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
Ab Initio investigation of the structure of hydrogen halide-amine complexes in the gas phase and in a polarizable medium
โ Scribed by Ingrid J. Kurnig; Steve Scheiner
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 563 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
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