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[期刊论文] 作者:Xie An-Dong, 来源:中国物理(英文版) 年份:2006
Density functional theory (DFT) (B3p86) has been used to optimize the structure of the molecule Taa- The result shows that the ground state of molecule Ta,2 is...
[期刊论文] 作者:Xie An-Dong,Yan Shi-Ying,Zhu Zheng-He,Fu Yi-Bei, 来源:中国物理(英文版) 年份:2005
Density functional Theory (DFT) (B3p86) of Gaussian03 has been used to optimize the structure of Os2 molecule.The result shows that the ground state for Os2 mol...
[期刊论文] 作者:Ruan Wen,Xie An-Dong,Yu Xiao-Guang,Wu Dong-Lan, 来源:中国物理B(英文版) 年份:2011
[期刊论文] 作者:Wu Dong-Lan,Zeng Xue-Feng,Xie An-Dong,Wan Hui-Jun, 来源:中国物理B(英文版) 年份:2010
[期刊论文] 作者:Wu Dong-Lan,Xie An-Dong,Yu Xiao-Guang,Wan Hui-Jun, 来源:中国物理B(英文版) 年份:2012
[期刊论文] 作者:WU Dong-Lan,TAN Bin,ZHANG Xin-Qin,XIE An-Dong, 来源:中国物理快报(英文版) 年份:2012
We build a partition function model by product approximation first,then put the normal temperature calculated by moment square R2v,which has no rotational trans...
[期刊论文] 作者:WU Dong-Lan,TAN Bin,WAN Hui-Jun,XIE An-Dong,DING Da-Jun, 来源:中国物理快报(英文版) 年份:2015
[期刊论文] 作者:Ruan Wen,Wu Dong-Lan,Luo Wen-Lang,Yu Xiao-Guang,Xie An-Dong, 来源:中国物理B(英文版) 年份:2014
[期刊论文] 作者:Ruan Wen,Xie An-Dong,Wu Dong-Lan,Luo Wen-Lang,Yu Xiao-Guang, 来源:中国物理B(英文版) 年份:2014
[期刊论文] 作者:Wu Dong-Lan,Tan Bin,Wan Hui-Jun,Zhang Xin-Qin,Xie An-Dong, 来源:中国物理B(英文版) 年份:2013
[会议论文] 作者:Wu Dong-Lan,Zeng Xue-Feng,Xie An-Dong,Wen Yu-feng,Yan Bing, 来源:第六届全国计算原子与分子物理学术会议 年份:2016
  Ab initio calculations on the MgCl system have been perfomed at the level of MRCI+Q method with correlation-consistent quadruple-ζquality basis set.In orde...
[期刊论文] 作者:Wu Dong-Lan,Cheng Xin-Lu,Yang Xiang-Dong,Xie An-Dong,Ruan Wen,Yu Xiao-Guang,Wan Hui-Jun, 来源:中国物理(英文版) 年份:2007
In this paper the equilibrium structure of HCO has been optimized by using density functional theory (DFT)/ B3P86 method and CC-PVTZ basis. It has a bent (Cs, X...
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