摘要
采用旋转异构态模型和二级相互作用近似，计算了无扰Ｐｏｌｙｓｉｌａｎｅ链的内能、自由能和熵。
In this paper,we have calculated intrinsic energy, free energy and entropy of the unperturbed polysilane chain by using the rotational isomeric state model and the second order interaction approximation.We have discussed the relations between them and chain length,and temperature.
出处
《科技通报》
1997年第4期242-244,共3页
Bulletin of Science and Technology
关键词
旋转异构态模型
Polysilane链
热力学函数
rotational isomeric state model, second order interaction approximation, unperturbed polysilane chain, thermodynamic functions
