PECULIARITIE OF BANANA-SHAPED MESOGEN PHASE STRUCTURE ACCORDING TO COMPUTER CALCULATIONS

被引：0
|
作者：
Gabdulsadykova, G. F.
Zharova, M. A.
Sotsky, V. V.
Usol'tseva, N. V.
机构：
来源：
LIQUID CRYSTALS AND THEIR APPLICATION | 2011年 / 04期
关键词：
banana-shaped mesogen; structure; synchrotron radiation; molecular dynamics with molecular mechanics; MDsimGrid program;
D O I：
暂无
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
To determine the supramolecular organization of the banana-shaped compound - bis{3,4,5-tri[4-(4'-nonyloxybenzoyloxy)] benzoylamino}-1,3-phenylene - numerous experiments were carried out by the method of molecular dynamics with molecular mechanics in the MDsimGrid program. The possible packings of the banana-shaped molecules in different phase conditions were discussed. The obtained data were compared to research results of the phase structure using synchrotron radiation method.
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页码：32 / 40
页数：9
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