机构

• 高能物理研究所 [5]
• 力学研究所 [3]
• 上海药物研究所 [3]
• 化学研究所 [2]
• 大连化学物理研究所 [2]
• 昆明植物研究所 [2]
• 更多

采集方式

• OAI收割 [19]
• iSwitch采集 [1]

内容类型

• 期刊论文 [19]
• 会议论文 [1]

发表日期

• 2025 [1]
• 2024 [1]
• 2022 [2]
• 2017 [2]
• 2016 [3]
• 2015 [2]
• 更多

学科主题

• Chemistry [1]
• Chemistry;... [1]
• Instrument... [1]
• Sustainabl... [1]
• 流体力学::化工流体... [1]

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浏览/检索结果: 共20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 Fast and Scalable Neural Network Quantum States Method for Molecular Potential Energy Surfaces 期刊论文  OAI收割 IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2025, 卷号: 36, 期号: 7, 页码: 1431-1443 作者:  Wu, Yangjun;  Cao, Wanlu;  Zhao, Jiacheng;  Shang, Honghui   |  收藏  |   The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |   Insights into Ionic Liquids: From Z-Bonds to Quasi-Liquids 期刊论文  OAI收割 JACS Au, 2022, 卷号: 2, 期号: 3, 页码: 543-561 作者:  Wang, Yanlei;  He, Hongyan;  Wang, Chenlu;  Lu, Yumiao;  Dong, Kun   |  收藏  |   SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMISTRY, 2022, 卷号: 40, 期号: 1, 页码: 160-168 作者:  Huang, Yu-Peng;  Xia, Yijie;  Yang, Lijiang;  Wei, Jiachen;  Yang, Yi Isaac   |  收藏  |   Hydrogenation of Carbon Dioxide to Methanol Catalyzed by Iron, Cobalt, and Manganese Cyclopentadienone Complexes: Mechanistic Insights and Computational Design 期刊论文  OAI收割 CHEMISTRY-A EUROPEAN JOURNAL, 2017, 卷号: 23, 期号: 37, 页码: 8850-8856 作者:  Ge, Hongyu;  Chen, Xiangyang;  Yang, Xinzheng   |  收藏  |   A comparative study of elliptical and round scramjet combustors by Improved Delayed Detached Eddy Simulation 会议论文  OAI收割 Xiamen, China, 6-9 March 2017 作者:  Yao W(姚卫);  Yuan YM(袁越明);  Li XP(李晓鹏) 收藏  |   Structural Revisions of a Class of Natural Products: Scaffolds of Aglycon Analogues of Fusicoccins and Cotylenins Isolated from Fungi 期刊论文  OAI收割 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 卷号: 55, 期号: 12, 页码: 4069-4073 作者:  Tang, Ying;  Xue, Yongbo;  Du, Guang;  Wang, Jianping;  Liu, Junjun 收藏  |   A DFT Study on the Conversion of Aryl Iodides to Alkyl Iodides: Reductive Elimination of R-I from Alkylpalladium Iodide Complexes with Accessible -Hydrogens 期刊论文  OAI收割 CHEMISTRY-A EUROPEAN JOURNAL, 2016, 卷号: 22, 期号: 10, 页码: 3422-3429 作者:  Hao, Wei;  Wei, Junnian;  Chi, Yue;  Walsh, Patrick J.;  Xi, Zhenfeng   |  收藏  |   Facet Energy versus Enzyme-like Activities: The Unexpected Protection of Palladium Nanocrystals against Oxidative Damage 期刊论文  OAI收割 ACS NANO, 2016, 卷号: 10, 期号: 11, 页码: 10436-10445 作者:  Ge, CC;  Fang, G;  Shen, XM;  Chong, Y;  Wamer, WG   |  收藏  |   Materials, Chemistry, and Simulation for Future Energy Technology 期刊论文  OAI收割 CHEMSUSCHEM, 2015, 卷号: 8, 期号: 17, 页码: 2755-2756 Aguey-Zinsou, Kondo-Francois; Wang, Da-Wei; Su, Dang-Sheng 收藏  |