摘要
作者在20～6000K温度范围内，将其划分为5个小区间，计算了H^12C^12N及其同位素H^12C^15N和H^13C^14N的总的配分函数．作者将计算的配分函数分别在这5个小区间被拟合到含温度T的四阶多项式内，并在每个区间均得到5个拟合系数．通过这些拟合系数可以快速、准确地获得分子在所研究温度范围内任意温度下的总的配分函数．
The total internal partition functions are calculated for temperatures from 20-6000 K for HCN and its isotopomers. The temperature range is divided into five regions and the calculated total intemal partition sum（TIPS） are fit to a four-order polynomial expression in T, and the coefficients are evaluated in five temperature regions. This allows a rapid and accurate calculation of the total intemal partition functions at the temperature from 20-6000 K.
出处
《四川大学学报（自然科学版）》
CAS
CSCD
北大核心
2006年第4期847-851,共5页
Journal of Sichuan University(Natural Science Edition)
基金
TheNationalNaturalScienceFoundationofChina(10574096),TheNationalNaturalScienceFoundationofChinaandCAEP(10376021),TheSpecializedResearchFundfortheDoctoralProgramofHigherEducationofChina(20050610010),TheSpecializedResearchFundfortheDevelopmentProgramofHigherEducationofGuizhouprovince(2005119)
关键词
总配分函数
氰化氢
转动配分函数
振动配分函数
total intemal partition sums
hydrogen cyanide
rotational partition sums
vibrational partitionsurds
作者简介
SONG Xiao-Shu（ 1971 - ）, female, associate professor.
Corresponding author, E-mail： xdyang@scu.edu.cn
