| 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:nmrpapers [2023/07/25 22:03] – [NMR/NICS/固态NMR[目录]] liu.jun | adf:nmrpapers [2024/04/07 10:30] (当前版本) – [2024] liu.jun |
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| [[adf:publishedpapers|上级目录]] | [[adf:publishedpapers|上级目录]] |
| ======NMR/NICS/固态NMR[目录]====== | ======NMR/NICS/固态NMR[目录]====== |
| | - $^{13}C_{carben}$ 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]] |
| | - 31P核磁共振波谱作为钍-磷键共价的探针：磷化学位移与金属-磷键序的相关性, J. Am. Chem. Soc., 2023, DOI: [[https://pubs.acs.org/doi/full/10.1021/jacs.3c02775|10.1021/jacs.3c02775]] |
| | - Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster, JACS, 2023, DOI: [[https://pubs.acs.org/doi/full/10.1021/jacs.3c07335|10.1021/jacs.3c07335]] |
| | - Lewis Acid Probe for Basicity of Sulfide Electrolytes Investigated by 11B Solid-State NMR, JACS Au 2023, DOI: [[https://pubs.acs.org/doi/full/10.1021/jacsau.3c00242|10.1021/jacsau.3c00242]] |
| - Regioselective Derivatization of Silylated [20]Silafulleranes, JACS, 2023, DOI: [[https://pubs.acs.org/doi/abs/10.1021/jacs.3c03270|10.1021/jacs.3c03270]] | - Regioselective Derivatization of Silylated [20]Silafulleranes, JACS, 2023, DOI: [[https://pubs.acs.org/doi/abs/10.1021/jacs.3c03270|10.1021/jacs.3c03270]] |
| - [[https://pubs.acs.org/doi/abs/10.1021/jacs.2c08511|水对TiO2上羧酸酮化反应中表面中间体反应性的作用(JACS 2022)]] | - [[https://pubs.acs.org/doi/abs/10.1021/jacs.2c08511|水对TiO2上羧酸酮化反应中表面中间体反应性的作用(JACS 2022)]] |
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| =====其他===== | =====其他===== |
| | ====2024==== |
| | - 2,4-二溴-6-（1H-菲并[9,10-d]咪唑-2-基）苯酚的合成、晶体结构、光谱（IR、NMR）和计算分析, Journal of Chemical Crystallography, 2024, DOI: [[https://link.springer.com/article/10.1007/s10870-024-01011-8|10.1007/s10870-024-01011-8]] |
| | - 用Cu(I)盐促进Ce(III)氧化制备Ce(IV), Inorg. Chem. 2024, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.3c04337|10.1021/acs.inorgchem.3c04337]] |
| | - 通过从头算分子动力学和二组分与四组分密度泛函NMR计算研究了水溶液中Pt–Pt间接自旋-自旋耦合的动力学和相对论效应, J. Chem. Phys., 2024, 160, 114307, DOI: [[https://pubs.aip.org/aip/jcp/article/160/11/114307/3275724|10.1063/5.0196853]] |
| | - 207Pb核磁共振化学位移计算的基准研究, Inorg. Chem., 2024, DOI: [[https://pubs.acs.org/doi/full/10.1021/acs.inorgchem.3c04539|10.1021/acs.inorgchem.3c04539]] |
| | - Tuning the Softness of the Pendant Arms and the Polyazamacrocyclic Backbone to Chelate the $^{203}$Pb/$^{212}$Pb Theranostic Pair, Inorg. Chem., 2024, DOI: [[https://pubs.acs.org/doi/full/10.1021/acs.inorgchem.3c02610|10.1021/acs.inorgchem.3c02610]] |
| | - 结合从头算分子动力学和相对论NMR计算探讨$^{199}$Hg NMR参数, Inorg. Chem. 2024, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.3c03878|10.1021/acs.inorgchem.3c03878]] |
| | - 用现代相对论密度泛函方法研究三重态及以上体系的顺磁NMR位移, J. Phys. Chem. A 2024, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.jpca.3c07093|10.1021/acs.jpca.3c07093]] |
| ====2023==== | ====2023==== |
| | - 粉末样品中与顺磁性钴（II）离子直接结合的氯原子的固态35/37Cl NMR检测, Magnetic Resonance in Chemistry, 2023, DOI: [[https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/full/10.1002/mrc.5407|10.1002/mrc.5407]] |
| | - 硫醇盐配合物中汞NMR化学位移的几何相关性：相对论DFT研究, [[https://arxiv.org/pdf/2312.13120.pdf|arxiv.org]] |
| | - Can simple ‘molecular’ corrections outperform projector,augmented-wave density functional theory in the prediction of 35Cl electric field gradient tensor parameters for chlorine-containing crystalline systems?, [[https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/pdf/10.1002/mrc.5408|Magn Reson Chem. 2023;1–13]] |
| | - CdSe纳米晶表面镉和硒固态NMR谱的DFT计算, ACS Omega, 2023, DOI: [[https://pubs.acs.org/doi/full/10.1021/acsomega.3c07680|10.1021/acsomega.3c07680]] |
| | - Chemical shift tensors as probes of chalcogen bonds: solid-state NMR study of telluradiazole-XCN− (X = O, S, Se) salt cocrystals, FACETS, 2023, DOI: [[https://www.facetsjournal.com/doi/full/10.1139/facets-2023-0082|10.1139/facets-2023-0082]] |
| | - 调整硫醚官能化聚氮甲基环的结构：寻找Theranotic银放射性同位素的螯合剂, Inorg. Chem., 2023, DOI: [[https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.3c02456|10.1021/acs.inorgchem.3c02456]] |
| | - Relationships between the structural characteristic of curcumins that affect cell proliferation of hepatocarcinoma cells, [[https://www.raco.cat/index.php/afinidad/article/download/417980/513461|Afinidad, 2023]] |
| - Cl@Si20X20 cages. Evaluation of Encapsulation Nature, Structural Rigidity, and 29Si-NMR Patterns from Relativistic DFT Calculations, Phys. Chem. Chem. Phys., 2023, DOI: [[https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp02371k/unauth|10.1039/D3CP02371K]] | - Cl@Si20X20 cages. Evaluation of Encapsulation Nature, Structural Rigidity, and 29Si-NMR Patterns from Relativistic DFT Calculations, Phys. Chem. Chem. Phys., 2023, DOI: [[https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp02371k/unauth|10.1039/D3CP02371K]] |
| - 碱性卤化锡：利用固态NMR和DFT计算探索A2SnX6(A=K, Rb; X=Cl, Br, I)化合物的局部结构, [[https://doi.org/10.1021/acs.jpcc.2c08073|J. Phys. Chem. C, 2023, DOI: 10.1021/acs.jpcc.2c08073]] | - 碱性卤化锡：利用固态NMR和DFT计算探索A2SnX6(A=K, Rb; X=Cl, Br, I)化合物的局部结构, [[https://doi.org/10.1021/acs.jpcc.2c08073|J. Phys. Chem. C, 2023, DOI: 10.1021/acs.jpcc.2c08073]] |
