机构

• 上海应用物理研究所 [3]
• 计算技术研究所 [2]
• 福建物质结构研究所 [2]
• 金属研究所 [1]
• 化学研究所 [1]
• 数学与系统科学研究院 [1]
• 更多

采集方式

• OAI收割 [10]

内容类型

• 期刊论文 [10]

发表日期

• 2021 [2]
• 2019 [1]
• 2017 [1]
• 2016 [1]
• 2015 [1]
• 2014 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共10条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Many-core acceleration of the first-principles all-electron quantum perturbation calculations 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 267, 页码: 8 作者:  Shang, Honghui;  Duan, Xiaohui;  Li, Fang;  Zhang, Libo;  Xu, Zhiqian   |  收藏  |   Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11 作者:  Shang, Honghui;  Liang, WanZhen;  Zhang, Yunquan;  Yang, Jinlong   |  收藏  |   Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810 作者:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L   |  收藏  |   Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings 期刊论文  OAI收割 ADVANCED ELECTRONIC MATERIALS, 2017, 卷号: 3, 期号: 11 作者:  Nakamura, Yuma;  Zhao, Tianqi;  Xi, Jinyang;  Shi, Wen;  Wang, Dong   |  收藏  |   Recent developments in the ABINIT software package 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2016, 卷号: 205, 页码: 106-131 作者:  Gonze, X.;  Jollet, F.;  Araujo, F. Abreu;  Adams, D.;  Amadon, B.   |  收藏  |   Application of Polarizable Ellipsoidal Force Field Model to Pnicogen Bonds 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 卷号: 36, 期号: 7, 页码: 441—448 作者:  Liu, F;  Du, LK;  Gao, J;  Wang, LL;  Song, B 收藏  |   Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2014, 卷号: 53, 期号: 14, 页码: 7340—7350 Su, J; Wang, ZM; Pan, DQ; Li, J 收藏  |   The Lowest Triplet Excited States of Ph3PAuX and Ph3AsAuX (X=Cl, Br) 期刊论文  OAI收割 Acta Physico-Chimica Sinica, 2009, 卷号: 25, 期号: 10, 页码: 2113-2117 C. Y. Mang, J. Q. Zi, X. Zhao and K. C. Wu 收藏  |   First-principles investigations of isotope effects in thermodynamic properties of TiX2 (X = H, D, and T) system 期刊论文  OAI收割 Journal of Alloys and Compounds, 2008, 卷号: 450, 期号: 1-2, 页码: 369-374 C. H. Hu; D. M. Chen; Y. M. Wang; K. Yang 收藏  |   From molecule to bulk material: Optical properties of hydrogen-bonded dimers C12H12N4O2AgPF6 (2) and C28H28N6O3AgPF6 (2) depend on the arrangement of the oxime moieties 期刊论文  OAI收割 Chemistry-a European Journal, 2007, 卷号: 13, 期号: 18, 页码: 5151-5159 W. D. Cheng; D. S. Wu; J. Shen; S. P. Huang; Z. Xie; H. Zhang; Y. J. Gong 收藏  |