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Probing the geometric structures and bonding mechanisms of Cu-I hybrid clusters: Cu
4
I
4
-/o
文章来源:Comput. Theor. Chem. 1139, 102 (2018)
作者:ShengJie Lu, LiShun Wu, and Feng Lin
First principles study of LiAlO
2
: new dense monoclinic phase under high pressure
文章来源:J. Phys.: Condens. Matter 30, 115401 (2018)
作者:Guangtao Liu, and Hanyu Liu
Computational Studies on the Sc
n
N
m
(n + m=10) Clusters: Structure, Electronic and Vibrational Propertie
文章来源:J. Clust. Sci. 29, 459 (2018)
作者:ChengGang Li, JinCheng Zhou, YanFei Hu, BaoZeng Re
Computational Studies on the ScnNm (n + m=10) Clusters: Structure, Electronic and Vibrational Properties
文章来源:J. Clust. Sci. 29, 459 (2018)
作者:Zhao Yang, Dan Han, Guohong Chen, and Shiyou Chen
Studying the properties of a predicted tetragonal silicon by first principles
文章来源:Mater. Res. Express 5, 035910 (2018)
作者:HanYu Xue, Can Zhang, DongDong Pang, XueQian Huang
Phase Transition and Physical Properties of InS
文章来源:Commun. Theor. Phys. 5, 035904 (2018)
作者:HaiYan Wang, XiaoFeng Li, Lei Xu, XuSheng Li, and
Computational Prediction to Two-Dimensional SnAs
文章来源:Chin. Phys. Lett. 35, 107101 (2018)
作者:Dawei Zhou, Yangbing Zheng, Chunying Pu, Zhuo Wang
Structural, elastic, electronic and thermodynamic properties of ZrB
2
under high-pressure: First-principle study
文章来源:Int. J. Mod. Phys. B 32, 1850199 (2018)
作者:Guo Zhang, YuXin Zhao, Jun Zhu, YanJun Hao, Lin Zh
Computational prediction of two-dimensional monolayer B6C
2
P
2
by the global optimization method
文章来源:Mod. Phys. Lett. B 32, 1850370 (2018)
作者:Xi Fu, Jiyuan Guo, and Liming Li
A Potential Superhard Material m-BCN
文章来源:J. Superhard Mater. 40, 164 (2018)
作者:Rui Shi, Dong Wang, LiHua Gan
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