A novel quantum-topology index
By modifying the delta values of molecular connectivity indexes, new quantum-topology descriptors are presented in this paper. Their ability to describe molecular structure, both geometric and electronic, is established by correlating them with the bonding energy (E), force constant (kappa), and radius (R) of a heterogeneous set of monohydrides, as well as with the solubility in water -log S, hydrophobic constants -log P, and molecular volumes of halogenobenzenes and the standard heat of formation of SiXn (n = 1-4, X = F, Cl, Br, I). Moreover, it is clearly demonstrated that this ability is greater than that shown by the chi connectivity indexes.
Li
X
Department of Chemistry, Zhejiang University, Hangzhou, P. R. China.
Yu
Q
Zhu
L