| 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 [2024/01/20 15:20] – [2024] liu.jun | adf:nmrpapers [2024/04/07 10:30] (当前版本) – [2024] liu.jun |
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| =====其他===== | =====其他===== |
| ====2024==== | ====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]] | - 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]] | - 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]] | - 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]] | - 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]] | - 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]] |
