THEORETICAL-STUDY OF INTERMOLECULAR INTERACTIONS IN 4'-NITROPHENYL-4-OCTYLOXYBENZOATE (NPOB)

被引：0
|
作者：
ROYCHOUDHURY, M
OJHA, DP
机构：
来源：
NATIONAL ACADEMY SCIENCE LETTERS-INDIA | 1993年 / 16卷 / 11-12期
关键词：
INTERMOLECULAR INTERACTIONS; CNDO/2; METHOD; PERTURBATION METHOD; MB STATISTICS; 4'-NITROPHENYL-4-OCTYLOXYBENZOATE;
D O I：
暂无
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
Calculations of molecular charge distribution of 4'-nitrophenyl- 4-octyloxybenzoate (NPOB) were carried out employing an all valence electron molecular orbital, CNDO/2 method. The energy values obtained during interactions have been used as input for probability calculations corresponding to various interacting conditions. It has been ovserved that these calculations are helpful in explaining the liquid crystallinity successfully.
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页码：303 / 307
页数：5
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