绝对硬度的量化探究——介绍一个计算化学实验
杨松, 汤义涵, 徐嘉伟, 刘偌曦, 薛冰, 张致慧

Quantum Chemistry Research on the Absolute Hardness: Introduction to a Computational Chemistry Experiment
Song Yang, Yihan Tang, Jiawei Xu, Ruoxi Liu, Bing Xue, Zhihui Zhang
表4 化学硬度计算汇总表
物种 η (理论计算值)/eV η [17] (实验测量值)/eV
H2O 7.68/6.40 6.34
CN- 7.21/4.48 3.01
CH3O- 4.86/2.67 4.83