Correlativity of Retention Indices of Gas Chromatographywith a New Topological Indices 0X（1X）
- VernacularTitle:一种新的拓扑指数0X（1X）与气相色谱保留指数RI的相关性研究
- Author:
Xihua DU
;
Changjun FENG
- Publication Type:Journal Article
- From:
Chinese Journal of Analytical Chemistry
2001;29(3):330-332
- CountryChina
- Language:Chinese
-
Abstract:
Based on the adjacent matrix, a new principal quantum number topological index mX was set up：0X=Σ(δi)0.5， 1X=Σ(δi*δ\-j)0.5. The 0X, 1X values of 94 molecules for 13 series of compounds are calculated. It is found that 0X, 1X are correlated well with the retention indices RI of gas chromatography for these compounds .The results show that all the correlation coefficients are larger than 0.97. It has been demonstrated that the method possesses the advantage of easy computation and clear physical significance.
