Calculation of thermodynamic functions for polyatomic molecules
Calculation of thermodynamic functions for polyatomic molecules
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多原子分子热力学函数的计算
DOI：
10.6028/jres.056.015
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发表时间：
1956
影响因子：
--
通讯作者：
H. W. Woolley
中科院分区：
文献类型：
--
作者：
H. W. Woolley
F作为一个正则表达式，从中可以得到对于不表现出特殊现象（如内旋转）的分子的模动力学函数。本文讨论了一阶和二阶非调和振动和非旋振相互作用的影响，以及线性分子中双简并振动的矩效应。本文给出了比目前可用的更高阶的正离子的公式。
F ormul as a re give n from which t he t hermod ynami c fun ctions may be obtained for po lya to mi c molec ules not exhibiting special phenomena, s uch as internal rotati on. Thc cffects of first and second order anharmonicit ies and ro tational-vibrational interaction a re t ,·ea ted in de ta il, as also are t he a ngular moment um effects of doubly degenerate vibrations in linear molecules. This paper presents formulas for t he co rrect ions carried to hi gher order than has hither to been a vailable.