Molecular topological indexs research on physical and chemical properties of aliphatic alcohols
Bao Jin-yuan · Journal of Qinghai Normal University · 2005
Distance matrix D_i of an molecule is defined in terms of contribution of unit volume and branch vertex of atomes in a molecule.The new molecular topological index Z_i is set up by eigen value of D_i as Z_i=ln(λmax+λmid).Meanwhile,introduce molecular structure descriptor Qc and a rate of data of organic and inorganic quality(OI),and research-lgS,-lgKow and RI of alcohols,the correlation coefficient is equal to more than 0.99 by multivariate linear regression (MLR)analysis.