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1Focus on polymer chemistry papers in Science China Chemistry of the year 2010显示文摘The journal Science China Chemistry published 63 papers in polymer fields in 2010,leading to a percentage increase of 473%compared to the year 2008 and 70%to the year 2009,respectively(Figure 1).In this year,three polymer Special Topics were designed and published:Biomedical Polymer(Number 3)[1],Advances in Principles of Polymerization(Number 8)[2]and HighlyTIAN Ying ZHU XiaoWen CAO Yong 2011Science China Chemistry2011,54,2:2
2Theoretical investigation of substitution and end-group effects on poly(p-phenylene vinylene)s显示文摘Semi-empirical AM1 and ZINDO/S,as well as density function theory(DFT)method B3LYP/6-31G(d)quantum chemical calculations were carried out to study the electronic structures and optical properties of poly(p-phenylene vinylene)derivatives(PPVs)with 10 and 11 phenylene rings in the backbone.The calculations suggest that the assembly of alternate incorporation of CN and alkoxy substituted phenylene rings in the PPV backbone could be a good way to construct organic semiconductors with low HOMO/LUMO energy band-gaps.The effect of the end-group on the electronic structures and optical properties of the conjugated polymer was investigated by the calculated UV-Vis and UPS spectra.It was demonstrated that the aldehyde and phosphate end-groups have limited effects on the photophysical properties in the UV-Visible range.ZHENG Chao PAN JingFang CHEN RunFeng WANG Yang HUANG Wei 2014Science China Chemistry2014,57,3:0
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