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The calculation of CH2A~1A1 total partiton function
Author(s): 
Pages: 755-757
Year: Issue:  4
Journal: Journal of Southwest University for Nationalities(Natrual Science Edition)

Keyword:  CH2 分子离心岐变高温总的配分函数;
Abstract: 在20-6000K温度范围内,计算了CH2的总配分函数.其中,转动配分函数考虑了离心扭曲修正, 在配分函数的计算过程中发现,CH2A~1A1分子的离心效应对于总的配分函数值在较高温度下的影响是显著的.振动配分函数采用谐振子近似.20-6000 K的温度范围被划分为五区间段,计算的总的配分函数在这五个温度区间分别被拟合到一个温度T的四阶多项式,从而在每个区间均得到五个拟合系数.由这些拟合系数就可以快...
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