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浏览/检索结果: 共715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 Theoretical and experimental investigations about the role of MXene nanosheets covered with ZnO quantum dots on barrier resistance of epoxy coatings 期刊论文  OAI收割 JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2024, 卷号: 12, 期号: 1, 页码: 15 作者:  Pourhashem, Sepideh;  Seif, Abdolvahab;  Zhou, Ziyang;  Ji, Xiaohong;  Sgroi, Mauro Francesco   |  收藏  |  浏览/下载：5/0  |  提交时间：2024/04/07 Hybrid of MXene@ZnO QDs  Silane functionalization  Epoxy coating  Corrosion resistance  DFT studies   Structural and electronic properties of Ta2O5 with one formula unit 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 230 作者:  Tong, Yangwu;  Tang, Huimin;  Yang, Yong   |  收藏  |  浏览/下载：10/0  |  提交时间：2023/11/17 Ta2O5  Structure Search  Elementary Building Block  DFT Calculations   Investigation of triazole derivatives as corrosion inhibitors on Q235 steel in NaCl solution: Experimental and theoretical studies 期刊论文  OAI收割 COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2023, 卷号: 674, 页码: 14 作者:  Lu, Hao;  Ji, Xiaohong;  Ci, Xiaojing;  Zhu, Haoyuan;  Wang, Qingfu   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/12/13 Q235 steel  Corrosion inhibitors  Triazole derivatives  DFT   S vacancy in MoS2 nanosheets induces H2O cleavage: a new era for 2D nanozyme 期刊论文  OAI收割 RESEARCH ON CHEMICAL INTERMEDIATES, 2023, 卷号: 49, 期号: 12, 页码: 10 作者:  Wang, Jin;  Ren, Wenyu;  Wang, Yi;  Zhang, Dun;  Wang, Yu   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/11/30 MoS2  Nanozyme  Peroxidase-like activity  S vacancy  DFT calculations   Sesquiterpene lactones from Artemisia verlotorum and their anti-inflammatory activities 期刊论文  OAI收割 FITOTERAPIA, 2023, 卷号: 169, 页码: 11 作者:  Wang, Mengyu;  Yang, Yue;  Ke, Changqiang;  Yao, Sheng;  Feng, Zheling   |  收藏  |  浏览/下载：19/0  |  提交时间：2023/10/17 Artemisia verlotorum  Verlotolides A -G  DFT NMR calculation  TDDFT ECD calculation  X-ray diffraction  Anti-inflammation   Activated dissociation of H2 on the Cu(001) surface: The role of quantum tunneling 期刊论文  OAI收割 CHINESE PHYSICS B, 2023, 卷号: 32 作者:  Yu, Xiaofan;  Tong, Yangwu;  Yang, Yong   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/11/10 H-2  Cu(001)  dissociation  quantum tunneling  density functional theory (DFT)  transfer matrix method   Dual ligands relay-promoted transformation of unstrained ketones to polyfluoroarenes and nitriles 期刊论文  OAI收割 SCIENCE CHINA-CHEMISTRY, 2023, 卷号: 66, 期号: 7, 页码: 2037-2045 作者:  Wang, Zhen-Yu;  Xu, Huiying;  Zhang, Xu;  Wang, Xing;  Xu, Hui   |  收藏  |  浏览/下载：19/0  |  提交时间：2023/10/17 C-C bond activation  dual ligands relay  unstrained ketones  modification of drugs and natural products  DFT study   The first phytochemical investigation of Artemisia nujianensis: Eight new guaianolides and their anti-inflammatory activity 期刊论文  OAI收割 FITOTERAPIA, 2023, 卷号: 167, 页码: 9 作者:  Yu, Shan;  Tang, Chunping;  Ke, Chang-Qiang;  Yao, Sheng;  Feng, Zheling   |  收藏  |  浏览/下载：20/0  |  提交时间：2023/10/17 Artemisia nujianensis  Guaianolide  Artenujianolides A-H  DFT NMR calculation  Anti-inflammatory activity   Insights into structural and electronic properties of (LiH)n (n=5-25) clusters: Density functional calculations 期刊论文  OAI收割 MATERIALS CHEMISTRY AND PHYSICS, 2023, 卷号: 295, 页码: 8 作者:  Soomro, Irfan Ali;  Lakhan, Muhammad Nazim;  Hussain, Altaf;  Hanan, Abdul;  Bibi, Faiza   |  收藏  |  浏览/下载：18/0  |  提交时间：2023/02/24 DFT  Structural properties  Electronic properties  Metallic hydrides  LiH cluster   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