| 大气中HSO-3异构体的“量子化学后”研究 |
| POST-QUANTUM CHEMISTRY STUDY ON BISULFITE ION ISOMERS IN ATMOSPHERE |
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| 摘要: 在量子化学计算的基础上，用统计热力学方法，计算了亚硫酸氢根离子的两种异构体HOSO-2(CS)和HSO-3(C3V)的热力学性质及它们相互转化的平衡常数(相对稳定性随温度的变化)等。通过计算数据的回归分析，给出了摩尔熵、摩尔热容等随温度变化的表达式。 |
| 关键词: 热力学函数 稳定性 HSO-3异构体 |
| 基金项目: |
| Abstract: Thermodynamic Properties and their conversion equilibrium constants (relative stabilities depending on temperature) etc. of two bisulfite ion isomers have been calculated using thermodynamic method, on the basis of quantum-chemical calculations in the paper. The expressions of their molar entropies and molar heat capacities changing with temperatures have been given by regression analysis on the calculated data. |
| Keywords: thermodynamic function stability isomers of HSO-3 |
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| 摘要点击次数: 1345 |
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| 李鸿瑞,居泉,居冠之.大气中HSO-3异构体的“量子化学后”研究[J].无机化学学报,1998,14(4):393-395. |
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