Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology
β Scribed by Galvez, J.
- Book ID
- 127099441
- Publisher
- American Chemical Society
- Year
- 2003
- Tongue
- English
- Weight
- 113 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0095-2338
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
This study was undertaken to test the ability of the molecular connectivity model to predict retention indices using both statistical correlation coefficients and correctly predicted elution sequences as criteria of fit. The test was performed on three groups of chloroalkanes. Regression analyses sh
An algorithm for the calculation of local and global curvatures of molecular surfaces is presented. The analysis is based on a surface representation as a set of points in 3-D space ("dotted surface" representation). The surface data are used to subdivide the surface into domains with different curv