INTERACTION ENERGY BETWEEN SOME NEMATOGENIC MOLECULES

被引:24
作者
BARAN, JW [1 ]
LES, A [1 ]
机构
[1] UNIV WARSAW,INST BAS PROBLEMS CHEM,QUANTUM CHEM LAB,PL-02093 WARSAW,POLAND
来源
MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 1979年 / 54卷 / 3-4期
关键词
D O I
10.1080/00268947908084860
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Calculation of the interaction energies between nematogenic MBBA and PAA molecules were performed in the framework of the Rayleigh-Schrodinger perturbation theory, supplemented with the empirical repulsive term. The predominant role of dispersion interaction as well as negligibly small induction energy were found. The electrostatic contribution to the interaction energy was discussed. Some remarks relating to the possible mode of molecular motion were also made.
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页码:273 / 288
页数:16
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