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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

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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摘要 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. 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.
出处 《Science China Chemistry》 SCIE EI CAS 2000年第1期17-26,共10页 中国科学(化学英文版)
关键词 MOLECULAR MOMENT π-bond GRADE reactivity MOLECULAR topology. molecular moment, π-bond grade, reactivity, molecular topology.
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参考文献13

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