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20～6000K温度范围内二氧化碳配分函数的计算
  • ISSN号：1000-0364
  • 期刊名称：《原子与分子物理学报》
  • 时间：0
  • 分类：O561[理学—原子与分子物理;理学—物理]
  • 作者机构：[1]贵州师范大学理学院,贵阳550001, [2]四川师范大学物理与电子工程学院,成都610066, [3]西南民族大学电气信息工程学院,成都610041
  • 相关基金：国家自然科学基金（10676025）;高等学校博士点专项科研基金（20050610010）;贵州省教育厅自然科学基金（黔教科20062041）;四川省教育厅青年基金（20058022）
作者： 宋晓书[1], 令狐荣锋[1], 李德华[2], 闫安英[3]
关键词： 总配分函数, 二氧化碳, 转动配分函数, 振动配分函数, total internal partition sums, carbon dioxide, rotational partition sums, vibrational partition sums
中文摘要：

在20～6000K温度范围内，通过乘积近似计算了二氧化碳及其同位素的总的配分函数，其中振动配分函数用谐振子近似，转动配分函数考虑了离心扭曲修正．20-6000K温度范围被划分为五个小区间．在每一个小区间，计算的总的配分函数被拟合到一个温度T的四阶或五阶多项式，从而获得五个或六个拟合系数．通过这些拟合系数可以快速准确的获得分子在所研究温度范围内任意温度下的总配分函数．

英文摘要：

The total internal partition functions have been calculated for temperatures from 20- 6000 K for CO2 and it＇ s isotopomers. The temperature range is divided into five regions and the calculated TIPS are fit to a three-order or 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 internal partition functions at the temperature from 20-6000 K.

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期刊信息
  • 《原子与分子物理学报》
  • 北大核心期刊（2011版）
  • 主管单位:四川省科学技术协会
  • 主办单位:中国物理学会 原子与分子物理专业委员会 四川省物理学会 四川大学
  • 主编：芶清泉
  • 地址：成都市一环路南一段24号
  • 邮编：610065
  • 邮箱：yzyf@chinajournal.net.cn
  • 电话：028-85405516
  • 国际标准刊号：ISSN：1000-0364
  • 国内统一刊号：ISSN：51-1199/O4
  • 邮发代号:62-54
  • 获奖情况:
  • 四川省高等学校优秀期刊,四川省科技期刊优秀期刊
  • 国内外数据库收录:
  • 美国化学文摘（网络版）,日本日本科学技术振兴机构数据库,中国北大核心期刊（2004版）,中国北大核心期刊（2008版）,中国北大核心期刊（2011版）,中国北大核心期刊（2014版）,英国英国皇家化学学会文摘,中国北大核心期刊（2000版）
  • 被引量:4084