机构

• 大连化学物理研究所 [3]
• 金属研究所 [2]
• 计算技术研究所 [2]
• 福建物质结构研究所 [2]
• 成都生物研究所 [2]
• 过程工程研究所 [2]
• 更多

采集方式

• OAI收割 [21]

内容类型

• 期刊论文 [20]
• SCI/SSCI论文 [1]

发表日期

• 2022 [1]
• 2020 [3]
• 2019 [2]
• 2018 [1]
• 2017 [2]
• 2016 [2]
• 更多

学科主题

• Earth Scie... [2]
• 安全科学技术 [1]
• 核科学技术 [1]
• 物理化学与绿色催化 [1]

筛选

浏览/检索结果: 共21条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Covalent Organic Frameworks Based Inorganic/Organic Composite Materials for Photocatalytic Applications 期刊论文  OAI收割 CHEMNANOMAT, 2022, 页码: 22 作者:  Xiao, Mingjiao;  Wei, Yanze;  Yu, Ranbo   |  收藏  |  浏览/下载：44/0  |  提交时间：2023/02/24 covalent-organic frameworks  functional materials  organic-inorganic hybrid composites  photocatalysis  porous materials   The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2020, 卷号: 254, 页码: 9 作者:  Shang, Honghui;  Xu, Lei;  Wu, Baodong;  Qin, Xinming;  Zhang, Yunquan   |  收藏  |  浏览/下载：49/0  |  提交时间：2020/12/10 Density-functional theory  Hartree-Fock  Hybrid functionals  Numeric atomic orbitals  Linear scaling  MPI   Intrinsic defects of GaSe 期刊论文  OAI收割 JOURNAL OF PHYSICS-CONDENSED MATTER, 2020, 卷号: 32 作者:  Deak, Peter;  Han Miaomiao;  Lorke, Michael;  Tabriz, Meisam Farzalipour;  Frauenheim, Thomas   |  收藏  |  浏览/下载：30/0  |  提交时间：2020/11/26 GaSe  2D-materials  intrinsic defects  hybrid functional   The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS, 2020, 卷号: 34, 期号: 2, 页码: 159-168 作者:  Qin, Xinming;  Shang, Honghui;  Xu, Lei;  Hu, Wei;  Yang, Jinlong   |  收藏  |  浏览/下载：44/0  |  提交时间：2020/12/10 Distributed algorithms  hybrid density-functional calculations  HONPAS package  electron repulsion integrals  parallel implementation   NH4V4O10 micro-flowers as cathode material for high performance hybrid magnesium-lithium-ion batteries 期刊论文  OAI收割 MATERIALS LETTERS, 2019, 卷号: 247, 页码: 178-181 作者:  Chen, Qingqing;  Xia, Qing;  Xu, Yuxing;  Wang, Pengfei;  Tan, Qiangqiang   |  收藏  |  浏览/下载：93/0  |  提交时间：2019/06/14 Hybrid magnesium-lithium-ion batteries  NH4V4O10  Micro-flowers  Cathode  Energy storage and conversion  Functional   Three-dimensional inversion of full magnetic gradient tensor data based on hybrid regularization method 期刊论文  OAI收割 GEOPHYSICAL PROSPECTING, 2019, 卷号: 67, 期号: 1, 页码: 226-261 作者:  Ji, Shuangxi;  Zhang, Huai;  Wang, Yanfei;  Rong, Liangliang;  Shi, Yaolin   |  收藏  |  浏览/下载：112/0  |  提交时间：2019/03/04 Full magnetic gradient tensor data  Hybrid parameter regularization  Minimum support functional  MSTV stabilizer  TV regularization   Two-Dimensional Lamellar Mo2C for Electrochemical Hydrogen Production: Insights into the Origin of Hydrogen Evolution Reaction Activity in Acidic and Alkaline Electrolytes 期刊论文  OAI收割 ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 47, 页码: 40500-40508 作者:  Yuan, Wenjin;  Huang, Qing;  Yang, Xianjin;  Cui, Zhenduo;  Zhu, Shengli   |  收藏  |  浏览/下载：51/0  |  提交时间：2019/12/18 DENSITY-FUNCTIONAL THEORY  MOLYBDENUM CARBIDE  EFFICIENT ELECTROCATALYST  CATALYST  HYBRID  STABILITY  NANOSPHERES  ADSORPTION  CONVERSION  NANOWIRES   Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334 作者:  Xu, Xin;  Chen, Jun;  Su, Neil Qiang;  Zhang, Dong H. 收藏  |  浏览/下载：21/0  |  提交时间：2017/12/19 XYG3  doubly hybrid  density functional theory  potential energy surface  quantum dynamics  rate coefficients   Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 27, 页码: 2326-2334 作者:  Chen, Jun;  Su, Neil Qiang;  Xu, Xin;  Zhang, Dong H. 收藏  |  浏览/下载：19/0  |  提交时间：2017/12/19 XYG3  doubly hybrid  density functional theory  potential energy surface  quantum dynamics  rate coefficients   Assessment of Contemporary Theoretical Methods for Bond Dissociation Enthalpies 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 4, 页码: 453-461 作者:  Fan, Hong-jun;  Li, Lu;  Hu, Hao-quan   |  收藏  |  浏览/下载：17/0  |  提交时间：2019/06/20 Bond Dissociation Enthalpies  Density Functional Theory  Double-hybrid Density Functional Theory  High-level Composite Methods