对“应用量子化学计算理解溶剂对CH3O−/CH3S−亲核性的影响”的思考与拓展 |
| 宋哲轩, 胡阳, 吴翔钰, 谢静 |
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Comment and Improvement on "Understanding the Effect of Solvents on the Nucleophilicity of CH3O−/CH3S− Using Quantum Chemical Calculations" |
| Zhexuan Song, Yang Hu, Xiangyu Wu, Jing Xie |
| 图2 气相和水溶剂中,CH3O− + CH3Cl (a, c)与CH3S− + CH3Cl (b, d) SN2反应势能曲线;以及过渡态的几何结构(键长:nm)及Mulliken电荷分布(e, f) 电子版为彩图 |
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