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Electronic and Charge-transport Properties of 1,1,2,3,4,5-hexaphenysilole (HPS) crystal from Theoretical Calculations
writer:Yu-Hua Liu, Yu Xie, Zhong-Yuan Lu*
keywords:1,1,2,3,4,5-Hexaphenysilole; Crystal; DFT calculation; MD simulation
source:期刊
specific source:Chem. Phys., 367(2-3), 160-166, 2010.
Issue time:2010年

Electronic and Charge-transport Properties of 1,1,2,3,4,5-hexaphenysilole (HPS) crystal from Theoretical Calculations