Chem. J. Chinese Universities ›› 1992, Vol. 13 ›› Issue (11): 1436.
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SU Zhong-Min, FU Yu-Jie, WANG Rong-Shun
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Abstract: In this paper,the influences of isomer structures of polyacetylene on the stability and electronic properties of polyacetylene sulfide were discussed by means of the tight-binding LCAO-SCF-MO method.The reasons for the influence were revealed.The calculation indicated that the trans-PAis the stablest structure in energy,sulfidation made it furtherly stable.
Key words: Polyacetylene sulfide, Cis-trans structures, CNDO/2-CO
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SU Zhong-Min, FU Yu-Jie, WANG Rong-Shun . The Influences of Isomer Structures of Polyacetylene on the Stability and Electronic Properties of Polyacetylene Sulfide[J]. Chem. J. Chinese Universities, 1992, 13(11): 1436.
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http://www.cjcu.jlu.edu.cn/EN/Y1992/V13/I11/1436
