| 一个估量碳正离子相对稳定性的新指标∑E_(AB)~R |
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| 引用本文： | 蔡锦峰. 一个估量碳正离子相对稳定性的新指标∑E_(AB)~R[J]. 华南师范大学学报(自然科学版), 1986, 0(1) |
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| 作者姓名： | 蔡锦峰 |
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| 摘 要： | 本文对碳正离子的相对稳定性作了理论计算,使用的计算方法是量子化学半经验方法(MNDO).文中提出用双原子共振积分能贡献总和作为衡量碳正离子相对稳定的指标,利用这个指标对五十个以上的碳正离子作了计算分析,所得结论与实验事实一致.
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| 关 键 词： | 碳正离子 MNDO方法 量子有机化学计算 E_(A B)~R 有机碳正离子的相对稳定性 |
SUGGESTING A NEW INDEX E_(AB)~ R FOR ESTIMATING THE RELATIVE STABILITY OF CARBONIUM IONS |
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| Cai Jinfeng. SUGGESTING A NEW INDEX E_(AB)~ R FOR ESTIMATING THE RELATIVE STABILITY OF CARBONIUM IONS[J]. Journal of South China Normal University(Natural Science Edition), 1986, 0(1) |
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| Authors: | Cai Jinfeng |
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| Affiliation: | Cai Jinfeng |
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| Abstract: | Theoritical researches on the relative stability of carbonium ions have been made through semi-empirical method ( MNDO ) by the author. He suggests that the summation of resonance integral contribution to energy can be used as an index for estimating the relative stability of carbonium ions. More than fifty carbonium ions have been calculated. Results are in good agreement with experiment facts. |
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| Keywords: | carbonium MNDOmethod calculation of quantum organic chemistry E R .relative stability of organic ion |
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