电子自旋密度可视化在环境化学涉自由基反应教学中的应用
Applying Electron Spin Density Visualization to Teaching Free Radical Related Reaction in Environmental Chemistry Course
1 kcal∙mol−1 = 4.184 kJ∙mol−1
电子自旋密度可视化在环境化学涉自由基反应教学中的应用 |
| 洪冉, 徐绘, 张庆云, 陈张浩, 吕占傲, 张宗瑞, 宋珍霞, 杨晓凡, 唐海, 徐大勇, 谷成 |
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Applying Electron Spin Density Visualization to Teaching Free Radical Related Reaction in Environmental Chemistry Course |
| Ran Hong, Hui Xu, Qingyun Zhang, Zhanghao Chen, Zhanao Lü, Zongrui Zhang, Zhenxia Song, Xiaofan Yang, Hai Tang, Dayong Xu, Cheng Gu |
| 图3 密度泛函计算得到的提氢反应能垒图 1 kcal∙mol−1 = 4.184 kJ∙mol−1 |
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