• Title of article

    A Novel Quantum-Topology Index

  • Author/Authors

    Li، Xinhua نويسنده , , Yu، Qingsen نويسنده , , Zhu، Longguan نويسنده ,

  • Issue Information
    دوماهنامه با شماره پیاپی سال 2000
  • Pages
    -398
  • From page
    399
  • To page
    0
  • Abstract
    By modifying the 6 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 (K), and radius (R) of a heterogeneous set of monohydrides, aswell 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 i connectivity indexes.
  • Keywords
    Fullerenes , Electronic paramagnetic resonance (EPR) , Infrared spectroscopy , Organic compounds , Chemical synthesis
  • Journal title
    Journal of Chemical Information and Computer Sciences
  • Serial Year
    2000
  • Journal title
    Journal of Chemical Information and Computer Sciences
  • Record number

    40882