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
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

The Connection Index of Average Energy Level for Valence Electron and Its Applications

doi: 10.1088/1674-0068/13/1/66-70
  • Received Date: 1999-02-10
  • 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.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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The Connection Index of Average Energy Level for Valence Electron and Its Applications

doi: 10.1088/1674-0068/13/1/66-70

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.

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
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

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