机构

• 上海药物研究所 [9]
• 金属研究所 [8]
• 过程工程研究所 [8]
• 化学研究所 [5]
• 大连化学物理研究所 [5]
• 力学研究所 [3]
• 更多

采集方式

• OAI收割 [49]
• iSwitch采集 [3]

内容类型

• 期刊论文 [51]
• 学位论文 [1]

发表日期

• 2026 [1]
• 2025 [4]
• 2024 [3]
• 2023 [2]
• 2022 [1]
• 2021 [3]
• 更多

学科主题

• Chemistry [2]
• Physics [1]
• 支撑与管理::仿真与... [1]
• 材料科学与物理化学 [1]
• 物理化学 [1]

筛选

浏览/检索结果: 共52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 Impact of electrostatic distribution in CYP3A4 on the regioselectivity of triazolam metabolism and regulation of its metabolic rate by the iron spin states: Insights from MD simulations and QM calculations 期刊论文  OAI收割 JOURNAL OF INORGANIC BIOCHEMISTRY, 2026, 卷号: 276, 页码: 12 作者:  Zhao, Yan;  Ma, Xinyu;  Zheng, Qingchuan   |  收藏  |   The effect of stress state and He concentration on the dislocation loop evolution in Ni superalloy irradiated by Ni plus & He plus dual-beam ions: In-situ TEM observation and MD simulations 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 212, 页码: 77-88 作者:  Zhu, Zhenbo;  Qiu, Rongyang;  Chang, Litao;  Ma, Guangcai;  Deng, Huiqiu   |  收藏  |   The effect of stress state and He concentration on the dislocation loop evolution in Ni superalloy irradiated by Ni plus & He plus dual-beam ions: In-situ TEM observation and MD simulations 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 212, 页码: 77-88 作者:  Zhu, Zhenbo;  Qiu, Rongyang;  Chang, Litao;  Ma, Guangcai;  Deng, Huiqiu   |  收藏  |   The effect of stress state and He concentration on the dislocation loop evolution in Ni superalloy irradiated by Ni plus & He plus dual-beam ions: In-situ TEM observation and MD simulations 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 212, 页码: 77-88 作者:  Zhu, Zhenbo;  Qiu, Rongyang;  Chang, Litao;  Ma, Guangcai;  Deng, Huiqiu   |  收藏  |   The effect of stress state and He concentration on the dislocation loop evolution in Ni superalloy irradiated by Ni plus & He plus dual-beam ions: In-situ TEM observation and MD simulations 期刊论文  OAI收割 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2025, 卷号: 212, 页码: 77-88 作者:  Zhu, Zhenbo;  Qiu, Rongyang;  Chang, Litao;  Ma, Guangcai;  Deng, Huiqiu   |  收藏  |   Synthesis and evaluation of hybrid molecules as RIPK1 and HDACs dual inhibitors 期刊论文  OAI收割 JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1318, 页码: 13 作者:  Tang, Mingze;  Zhou, Xuan;  Shen, Qianqian;  Fang, Chen;  Peng, Xia   |  收藏  |   Machine learning models and computational simulation techniques for prediction of anti-corrosion properties of novel benzimidazole derivatives 期刊论文  OAI收割 MATERIALS TODAY COMMUNICATIONS, 2024, 卷号: 41, 页码: 23 作者:  Ekeocha, Christopher Ikechukwu;  Uzochukwu, Ikechukwu Nelson;  Etim, Ini-Ibehe Nabuk;  Onyeachu, Benedict Ikenna;  Oguzie, Emeka Emmanuel   |  收藏  |   Theoretical study of novel antipyrine derivatives as promising corrosion inhibitors for mild steel in an acidic environment 期刊论文  OAI收割 STRUCTURAL CHEMISTRY, 2024, 页码: 17 作者:  Ekeocha, Christopher Ikechukwu;  Uzochukwu, Ikechukwu Nelson;  Onyeachu, Ikenna Benedict;  Etim, Ini-Ibehe Nabuk;  Oguzie, Emeka Emmanuel   |  收藏  |   Combining experimental analyses and molecular dynamics simulations in impurity removal at the Si/slag interface 期刊论文  OAI收割 METALLURGICAL RESEARCH & TECHNOLOGY, 2023, 卷号: 120, 期号: 4, 页码: 11 作者:  Liu, Yubao;  Guo, Yibo;  Li, Yaqiong;  Liu, Yao;  Fu, Jie   |  收藏  |   Water adsorption and diffusion in phosphoric acid-based geopolymer using molecular modeling 期刊论文  OAI收割 JOURNAL OF SOLID STATE CHEMISTRY, 2023, 卷号: 320, 期号: -, 页码: - 作者:  Hu, Haixiang;  Huang, Kangqiao;  Zhou, Wei;  Liu, Xinghong;  Chang, Xiaolin   |  收藏  |