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Charge transfer and variation of potential distributions in the formation of 4, 4’-bipyridine molecu
[期刊论文] 作者:Li Zong-Liang,Zou Bin,Yan Xun-Wang,Wang Chuan-Kui,
来源:中国物理(英文版) 年份:2007
In this paper the charge transfer and variation of potential distribution upon formation of 4, 4’-bipyridine molecular junction have been investigated by apply...
[期刊论文] 作者:Wang Chuan-Kui,Xing Xiao-Juan,Huang Xiao-Ming,Gao Yun,
来源:中国物理B(英文版) 年份:2007
Time-dependent hybrid density functional theory in combination with Oasager reaction field model and supermolecular model has been applied to study solvent effe...
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