Application of principal components analysis to calculate Henry's constant from molecular structure
✍ Scribed by Takahiro Suzuki; Kazuhisa Ohtaguchi; Kozo Koide
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 956 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0097-8485
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The apparent pK a of dyes in water-in-oil microemulsions depends on the charge of the acid and base forms of the buffers present in the water pool. Extended principal-component analysis allows the precise determination of the apparent pK a and of the spectra of the acid and base forms of the dye. Co
## Abstract ^13^C chemical shifts and ^13^CH coupling constants for classical and non‐classical structures of some typical carbonium ions have been calculated by the method of summation over excited states in the INDO approximation using a special parameterization. Comparison of the data obtained w