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Molecular Dynamic Simulation of Melting Points of Trans-1,4,5,8-tetranitro-1,4,5,8-tetraazadacalin (
[期刊论文] 作者：Xiao-hong Li,Xue-hai Ju,
来源：黑龙江科技信息 年份：2014
本文通过对荣华二采区10...
[会议论文] 作者：Jun Yin,Xue-Hai Ju,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
[期刊论文] 作者：Xiu-lin Zeng,Si-yu Xu,Xue-hai Ju,
来源：黑龙江科技信息 年份：2013
本文通过对荣华二采区10...
Theoretical Study of AlnGa (n=2-15) Clusters: From Geometric and Electronic Structures to Adsorption
[会议论文] 作者：Jian-Ying Zhao,Yu Zhang,Xue-Hai Ju,
来源：International Conference on Theoretical and High Performance 年份：2013
Geometries and dissociation energies of water molecules on Ga doped Al clusters were investigated using the first-principles density functional PW91 method.This work is divided into two parts: (i) the...
Theoretical Investigation of Structures,Stability of Al5X Clusters with 20 Valence Electrons Configu
[会议论文] 作者：Jian-Ying Zhao,Yu Zhang,Guodong Tang,Rong-Qing Li,Xue-Hai Ju,
来源：2016年理论与高性能计算化学国际会议(International Conference on Theoretical 年份：2016
Structures,stability of Al5X(X = P,As,Sb,Bi,V,Nb and Ta)clusters with 20 valence electrons configuration and their reactivity properties towards adsorbing H...
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