Effect of substituents on first and second stages of ionization in phosphorus acids
β Scribed by V. E. Bel'skii; G. Z. Motygullin
- Book ID
- 112432613
- Publisher
- Springer
- Year
- 1969
- Tongue
- English
- Weight
- 127 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1573-9171
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π SIMILAR VOLUMES
Ab inito molecular orbital calculations of the phosphorus-and sulfur-containing series PH,X, PH,X+, SHX, and SH2X+ ( X = H, CH,, NH,, OH, F) have been carried out over a range of Gaussian basis sets and the results (optimized geometrical structures, relative energies, and electron distributions) cri
The unimolecular rearrangement of XSnBP (X ΒΌ H, Li, BeH, BH 2 , CH 3 , NH 2 , OH, and F) to Sn@PX is considered using B3LYP and QCISD calculations. The theoretical findings suggest that the doubly bonded Sn@PX molecule is intrinsically more stable than the triply bonded XSnBP species, regardless of