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  • Probing the geometric structures and bonding mechanisms of Cu-I hybrid clusters: Cu4I4-/o
    文章来源:Comput. Theor. Chem. 1139, 102 (2018) 作者:ShengJie Lu, LiShun Wu, and Feng Lin
  • First principles study of LiAlO2: 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 ScnNm (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 ZrB2 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 B6C2P2 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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