中国科学院机构知识库网格系统: 检索

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	Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li₁₀GeP₂S₁₂ Solid Electrolyte 期刊论文 OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14 作者: Qi, Changlin; Zhou, Yuwei; Yuan XZ(袁晓泽); Peng Q(彭庆); Yang, Yong \| 收藏 \|
	Raman spectroscopy and ab initio quantum chemical calculations of ion association behavior in calcium nitrate solution 期刊论文 OAI收割 JOURNAL OF RAMAN SPECTROSCOPY, 2018, 卷号: 49, 期号: 5, 页码: 852-861 作者: Zhu, Fayan \| 收藏 \|
	First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal 期刊论文 OAI收割 CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69 作者: Xue, YB; Wang, WY; Guo, Y; Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China. \| 收藏 \|
	First-principles study on structural, mechanical and electronic properties of thorium dichalcogenides under high pressure 期刊论文 OAI收割 JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 508, 期号: -, 页码: 147-153 作者: Guo, YL; Chen, JC \| 收藏 \|
	First-principles study of the bonding characteristics of TiAl(111)/Al2O3(0001) interface 期刊论文 OAI收割 Intermetallics, 2015, 卷号: 60, 页码: 58-65 B. D.; Dai Wang, J. H.; Wu, X.; Song, Y.; Yang, R. 收藏 \|
	A new phase of ThC at high pressure predicted from a first-principles study 期刊论文 OAI收割 PHYSICS LETTERS A, 2015, 卷号: 379, 期号: 26-27, 页码: 1607—1611 作者: Guo, YL; Qiu, WJ; Ke, XZ; Huai, P; Cheng, C 收藏 \|
	Magnetic effect on the interfacial energy of the Ni(111)/Cr(110) interface 期刊论文 OAI收割 Journal of Physics-Condensed Matter, 2014, 卷号: 26, 期号: 35 S. Lu; H. L. Zhang; Q. M. Hu; M. P. J. Punkkinen; B. Johansson; L. Vitos 收藏 \|
	The dependence of SO3 dissociation on the diameter of single-wall carbon nanotubes based on first-principles calculations 期刊论文 OAI收割 Chemical Physics Letters, 2014, 卷号: 608, 页码: 1-5 W. Shen; F. Li; C. Liu; L. C. Yin 收藏 \|
	First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics 期刊论文 OAI收割 Computational Materials Science, 2014, 卷号: 90, 页码: 56-60 X. D. Zhang; S. Q. Wang 收藏 \|