CALCULATED POTENTIAL BARRIER HEIGHTS AND DYNAMIC REORIENTATION PROCESS IN MOLECULAR-CRYSTALS - DICHLORODURENE

被引：5

作者：

MESSAGER, JC ^{[1
]}

SANQUER, M ^{[1
]}

机构：

[1] UNIV RENNES,DEPT PHYS CRISTALLINE & CHIM STRUCT,CNRS,EQUIPE RES 15,AVE GEN LECLERC,35031 RENNES,FRANCE

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 1974年 / 26卷 / 3-4期

关键词：

D O I：

10.1080/15421407408083114

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Barrier heights of reorientation are calculated from semiempirical potential functions between non-bonded atoms. Different dynamic processes are shown to be possible and values of the calculated barrier heights are in fair agreement with those given by N. M. R. Results of the X-ray analysis are also explained.

引用

页码：373 / 380

页数：8

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