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Conformational transitions in chiral polythiophenes
被引：8
作者：
Shibaev, PV
Schaumburg, K
机构：
[1] Univ Copenhagen, Dept Chem, Ctr Interdisciplinary Studies Mol Interact, DK-2100 Copenhagen O, Denmark
[2] Chiral Photon Inc, Clifton, NJ 07012 USA
关键词：
molecular dynamics;
polythiophenes;
conformation;
chirality;
D O I：
10.1016/S0379-6779(01)00362-9
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Chiral derivatives of polythiophene (PT) were simulated using molecular dynamics (MD) procedure. The chirality introduced in the side chains of PT derivatives was shown to be responsible for helical conformation of the backbone. The magnitude of changes in helical conformation of the backbone depends crucially on the strength of chiral forces imposed by chiral side chains. The effect was studied in details by performing calculation for different structures of side chains. (C) 2001 Elsevier Science B.V. All rights reserved.
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页码：291 / 294
页数：4
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