The Connection Index of Average Energy Level for Valence Electron and Its Applications
- Received Date: 1999-02-10
- Valence electron average energy level,Connection index(mQ)Halide,Hydride,Physico-chemical property,Correlativity /
Abstract: The average energy level(i)of valence electron is defined as i=(ni-1)(ni+ΣEij)0.5/(1+mi).The new connection index 0Qand 1Q which are set up by i are defined as 0Q=Σ(i)-0.5 and 1Q=Σ(ij)-0.5.The correlation coeficients of 0Q and ΔE,0Q2 and ΔE,1Q0.5 and U,pKa and 0Q,1Qare 0.9734,0.9769,0.9906,0.9945 respectively.Their correlativities are even more ideal than those of the literature methods.mQ is a new molecular topogical index which have good structurese lectivity and highly property corrlativity.
|Citation:||Feng Changjun. The Connection Index of Average Energy Level for Valence Electron and Its Applications[J]. Chinese Journal of Chemical Physics , 2000, 13(1): 66-70. doi: 10.1088/1674-0068/13/1/66-70|