| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 |
| adf:paperofadf [2024/03/17 11:01] – [2024] liu.jun | adf:paperofadf [2024/05/24 13:14] (当前版本) – [2024] liu.jun |
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| ======ADF案例精选：分子、团簇体系第一性原理计算====== | ======ADF案例精选：分子、团簇体系第一性原理计算====== |
| ====2024==== | ====2024==== |
| | - 非共价相互作用诱导疏水纤维素纳米晶体同源掺入热塑性弹性体复合材料的受控增强, Composites Part B: Engineering, 2024, 111579, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S1359836824003901|10.1016/j.compositesb.2024.111579]] |
| | - 最小电解质体系中驱动力相关再生动力学的测定证实了Cu配合物与氧化染料之间的高电子耦合, J. Am. Chem. Soc., 2024, DOI: [[https://pubs.acs.org/doi/abs/10.1021/jacs.4c02237|10.1021/jacs.4c02237]] |
| | - Enantiopure [6]-Azairidahelicene by Dynamic Kinetic Resolution of a Configurationally Labile [4]-Helicene, Angew. Chem. Int. Ed. 2024, e202406663, DOI: [[https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202406663|10.1002/anie.202406663]] |
| | - 【南方科技大学】原子精确的稀土碲化物半导体簇, Nature Synthesis, 2024, DOI: [[https://www.nature.com/articles/s44160-024-00511-x#citeas|10.1038/s44160-024-00511-x]] |
| | - 二维材料基忆阻器中导电桥形成的原子描述, npj 2D Materials and Applications, 2024, volume 8, Article number: 26, DOI: [[https://www.nature.com/articles/s41699-024-00465-w#citeas|10.1038/s41699-024-00465-w]] |
| - [[https://www.x-mol.com/paper/1768318950572343296/t|两种拓扑异构体的故事]]：调整$[Fe^{IV}(O)(Me_4cyclam)]^{2+}$用于烯烃环氧化, Proceedings of the National Academy of Sciences of the United States of America, 2024, DOI: [[https://www.pnas.org/doi/abs/10.1073/pnas.2319799121|10.1073/pnas.2319799121]] | - [[https://www.x-mol.com/paper/1768318950572343296/t|两种拓扑异构体的故事]]：调整$[Fe^{IV}(O)(Me_4cyclam)]^{2+}$用于烯烃环氧化, Proceedings of the National Academy of Sciences of the United States of America, 2024, DOI: [[https://www.pnas.org/doi/abs/10.1073/pnas.2319799121|10.1073/pnas.2319799121]] |
| - 用于光催化氧化水的人工碳酸酐酶钌酶, ACS Catal. 2024, 14, XXX, 4277–4289, DOI: [[https://pubs.acs.org/doi/full/10.1021/acscatal.3c05183|10.1021/acscatal.3c05183]] | - 用于光催化氧化水的人工碳酸酐酶钌酶, ACS Catal. 2024, 14, XXX, 4277–4289, DOI: [[https://pubs.acs.org/doi/full/10.1021/acscatal.3c05183|10.1021/acscatal.3c05183]] |
| |
| ====2023==== | ====2023==== |
| | - [[https://www.fermitech.com.cn/news/adfhighlight20240429/|阴离子与芳香五酰胺大环的结合与迁移]], Nature Chemistry,2023, [[https://www.nature.com/articles/s41557-023-01199-w|volume 15, 980–987]] |
| - [[https://www.fermitech.com.cn/news/adfhighlight202399|10-和14-价电子三键体系：由dδ4环区分的等电子族]], Inorg. Chem. 2023, 62, 51, 21083–21090 | - [[https://www.fermitech.com.cn/news/adfhighlight202399|10-和14-价电子三键体系：由dδ4环区分的等电子族]], Inorg. Chem. 2023, 62, 51, 21083–21090 |
| - $^{13}C_{carben}$ NMR 化学位移分析确认铈(IV)-二膦亚烷基中Ce$^{IV}$=C双键, Chem. Sci., 2024, DOI: [[https://pubs.rsc.org/en/content/articlehtml/2023/sc/d3sc04449a|10.1039/D3SC04449A]] | - $^{13}C_{carben}$ NMR 化学位移分析确认铈(IV)-二膦亚烷基中Ce$^{IV}$=C双键, Chem. Sci., 2024, DOI: [[https://pubs.rsc.org/en/content/articlehtml/2023/sc/d3sc04449a|10.1039/D3SC04449A]] |
