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In this paper, we apply the adiabatic approximation model to the IR absorption of molecules. Expressions of the band shape functions for isothermal and isolated systems are obtained and using Einstein model we discuss the dependence of the band shape functions on temperature, normal coodinate shifts and energy.We also obtain a very simple expression of the correlation function when Svv′< 1 and discuss its effect on the band shape function. 相似文献
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本文考查了Pauling电负性与价电子静电位能的表征参数(电荷与半径比),以及内层电子分布概率密度径向衰减的表征参数R_0/r_(cov)、p(r_(cov))等的关系。求得用z~*/r_(cov)、R_0/r_(cov)等计算电负性的经验公式。在此基础上设计了新的键参数作图方法。讨论了电负性的物理意义和有关认识论的一些问题。 相似文献
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In this paper, we apply the adiabatic approximation model to the IR absorption of molecules. Expressions of the band shape functions for isothermal and isolated systems are obtained and using Einstein model we discuss the dependence of the band shape functions on temperature, normal coodinate shifts and energy.We also obtain a very simple expression of the correlation function when Svv ′<1 and discuss its effect on the band shape function. 相似文献
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