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浏览/检索结果: 共342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 Prediction of chemical short-range order in high-/medium-entropy alloys 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123 作者:  Cao, Pei-Yu;  Wang, Jing   |  收藏  |  浏览/下载：62/0  |  提交时间：2023/10/10 Short-range order  High-entropy alloy  Microstructure  First-principles calculation  Gibbs free energy  Local electronic density of states   Theoretical study on time response of semiconductor photorefractive effects under subpicosecond ultra-fast X-rays 期刊论文  OAI收割 PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 2023, 卷号: 381, 期号: 2253 作者:  Zhou, Hao;  Huang, Qi;  He, Kai;  Gao, GuiLong;  Yan, Xin   |  收藏  |  浏览/下载：12/0  |  提交时间：2023/08/14 photorefractive effect  semiconductor  electron-lattice equilibration   Quantitative evaluation of gas hydrate reservoir by AVO attributes analysis based on the Brekhovskikh equation 期刊论文  OAI收割 PETROLEUM SCIENCE, 2023, 卷号: 20, 期号: 4, 页码: 2045-2059 作者:  Wang, Yao;  Wang, Yan-Fei   |  收藏  |  浏览/下载：1/0  |  提交时间：2023/12/29 Natural gas hydrate  Brekhovskikh equation  AVO attributes  Random forest   Design and optimization of the composition and mechanical properties for non-equiatomic CoCrNi medium-entropy alloys 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 139, 页码: 232-244 作者:  Yan, J. X.;  Zhang, Z. J.;  Zhang, P.;  Liu, J. H.;  Yu, H.   |  收藏  |  浏览/下载：11/0  |  提交时间：2023/05/09 Medium-entropy alloys  First-principles calculations  Phase stability  Stacking-fault energy  Strength  Ductility   Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 153, 页码: 7 作者:  Wu, Leyun;  Wang, Guangpu;  Zhou, Liping;  Mo, Mengxia;  Shi, Yulong   |  收藏  |  浏览/下载：15/0  |  提交时间：2023/04/10 Pharmaceutical sciences  Molecular dynamics simulation  Free energy calculation  Asthma  Target protein  Transgelin-2  Agonist   Topological defect and sp3/sp2 carbon interface derived from ZIF-8 with linker vacancies for oxygen reduction reaction 期刊论文  OAI收割 CARBON, 2023, 卷号: 203, 页码: 76-87 作者:  Gao, Haixing;  Wang, Shuo;  Cheong, Weng-Chon (Max);  Wang, Kaixi;  Xu, Huifang   |  收藏  |  浏览/下载：35/0  |  提交时间：2023/01/12 Metal-free  Carbon-based materials  Metal-organic framework  Defect chemistry  Metal-air battery   Quantum chemistry insight into the interactions of 1,3-diisopropoxycalix[4]arenecrown-6 with alkali metal cations: Structure, selectivity, and solvation 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2023, 卷号: 370, 页码: 9 作者:  Xing, Huifang;  Meng, Qiyu;  Yang, Liangrong;  Chen, Congmei;  Liu, Huizhou   |  收藏  |  浏览/下载：18/0  |  提交时间：2023/02/24 BPC6  Alkali metal cations  DFT  IGMH  Selectivity  Solvation   A spectroscopic approach to identifying the out-of-plane conformations of Ni(II) meso-tetraphenylporphyrin in solution 期刊论文  OAI收割 JOURNAL OF MOLECULAR STRUCTURE, 2022, 卷号: 1269 作者:  Wang, Shenhao;  Huang, Qing   |  收藏  |  浏览/下载：27/0  |  提交时间：2022/12/23 NiTPP  Out-of-plane deformations  DFT  Molecular dynamics  Raman spectroscopy  1 H-NMR   Boosting nitrogen electrocatalytic fixation by three-dimensional TiO2-delta N delta nanowire arrays 期刊论文  OAI收割 JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 75, 页码: 293-300 作者:  Mu, Jianjia;  Gao, Xuan-Wen;  Liu, Zhaomeng;  Luo, Wen-Bin;  Sun, Zhenhua   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/05/09 Nanowires  TiO2-delta N delta  Electrocatalysis  NRR  DFT   Boosting nitrogen electrocatalytic fixation by three-dimensional TiO2-delta N delta nanowire arrays 期刊论文  OAI收割 JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 75, 页码: 293-300 作者:  Mu, Jianjia;  Gao, Xuan-Wen;  Liu, Zhaomeng;  Luo, Wen-Bin;  Sun, Zhenhua   |  收藏  |  浏览/下载：4/0  |  提交时间：2023/05/09 Nanowires  TiO2-delta N delta  Electrocatalysis  NRR  DFT