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采用CNDO/2-CO方法,讨论了硫化聚乙炔中硫链Sn长度(n=0,1,2,3)对体系稳定性及电子性质的变化规律的影响,进一步揭示了硫与聚乙炔络合的本质。
The influence of sulfur chain length (n = 0, 1, 2, 3) on the stability and electronic properties of the system was discussed by CNDO / 2-CO method. The essence of co-operation