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二取代苯环上亲电取代定位的计算化学模拟 被引量:4

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摘要 采用Materials Studio软件中的DMol3模块,对18种苯的二取代物环上C原子的Fukui函数进行了计算实验模拟,取得了有机化学观念基本一致的结果。
出处 《大学化学》 CAS 2011年第3期44-46,共3页 University Chemistry
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