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Applications of the molecular orbital graph theory (XI)

The molecular moment’s method of evaluating π-bond grade and judging relative reactivity of even AH

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Abstract

The tree graph method of evaluating the local molecular moment is proposed. By applying this method and the molecular moment formula of π-electron energy in the molecular orbital graph theory, a topological method of using the molecular moment to judge the relatively reactive point of even AH is achieved.

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References

  1. Tang Aoqing, Jiang Yuansheng, Dai Shushan et al., The Molecular Orbital Graph Theory, Beijing: Science Press, 1980, 197–201.

    Google Scholar 

  2. Zhao Honggang, Hu Shixian, Li Jiping et al., Applications of the molecular orbital graph theory:two topological methods of evaluating μL, Science in China, Ser. B, 1993, 36(8): 804.

    Google Scholar 

  3. Graovac, A., Babic, D., The evaluation of quantum chemical indices by the method of moments, J. Quant. Chem. Sym., 1990, (24): 221.

  4. Jiang Yuansheng, Tang Aoqing, Hoffman, R., Evaluation of moments and their application in Hückel molecular orbital theory, Theor. Chim. Acta, 1984, 66: 183.

    Article  Google Scholar 

  5. George, G H., The evaluation of moments for polycyclic hydrocarbons, Theor. Chim. Acta., 1986, 70: 323.

    Article  Google Scholar 

  6. Jiang Yuansheng, Qian Xiaoliang, Shao Yihan, The evaluation of moments for benzenoid by hydrocarbons, Theor. Chim. Acta, 1995, 90: 135.

    Google Scholar 

  7. Xu Guangxian, Li Lemin, Quantum Chemistry, Beijing: Science Press, 1984, 43.

    Google Scholar 

  8. Lai Chengming, Quantum Organic Chemistry Introduction (in Chinese), Beijing: Higher Education Press, 1987, 157.

    Google Scholar 

  9. Heilbronner, E., Bock, H., The HMO Model And Its Application, Vol. 3, Beijing: Science Press, 1984, 8–13.

    Google Scholar 

  10. Roberts, J. D., Notes on Molecular Orbital Calculation, New York: W. A. Benjamin Inc, 1962, 129–130.

    Google Scholar 

  11. Zhu Jiu, Han Shigang, Zhu Pingchou, Quantum Organic Chemistry II, Shanghai: Publishing House of Science and Technology, 1983, 178–179.

    Google Scholar 

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Shixian, H., Xiaoping, L., Honggang, Z. et al. Applications of the molecular orbital graph theory (XI). Sc. China Ser. B-Chem. 43, 17–26 (2000). https://doi.org/10.1007/BF03028845

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  • DOI: https://doi.org/10.1007/BF03028845

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