Residual dipolar coupling enhanced NMR spectroscopy and chiroptics: A powerful combination for the complete elucidation of symmetrical small molecules

Pérez-Balado C.; Sun H.; Griesinger C.; De Lera á.R.; Navarro-Vázquez A.

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Residual dipolar coupling enhanced NMR spectroscopy and chiroptics: A powerful combination for the complete elucidation of symmetrical small molecules

机译：残留偶极偶合增强的NMR光谱学和按摩疗法：完全阐明对称小分子的有力组合

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Absolute configuration assignment: Residual dipolar coupling (RDC)-enhanced NMR spectroscopy provides detailed configurational and conformational information on a symmetric homodimeric chiral organic compound. This allows unequivocal assignment of absolute configuration by using electronic circular dichroism and time-dependent (TD)-DFT computations.

机译：绝对构型分配：残余偶极偶合（RDC）增强的NMR光谱学提供了对称同型二聚手性有机化合物的详细构型和构象信息。通过使用电子圆二色性和时间相关（TD）-DFT计算，可以明确分配绝对配置。

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《Chemistry: A European journal》 |2011年第43期|共4页
作者
Pérez-Balado C.; Sun H.; Griesinger C.; De Lera á.R.; Navarro-Vázquez A.;
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正文语种 eng
中图分类应用化学;
关键词
ab initio calculations; configuration determination; density functional calculations; homodimers; NMR spectroscopy;

机译：从头计算;构型确定;密度泛函计算;同二聚体;NMR光谱;

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1. Residual dipolar coupling enhanced NMR spectroscopy and chiroptics: A powerful combination for the complete elucidation of symmetrical small molecules [J] . Pérez-Balado C., Sun H., Griesinger C., Chemistry: A European journal . 2011,第43期

机译：残留偶极偶合增强的NMR光谱学和按摩疗法：完全阐明对称小分子的有力组合
2. Residual Dipolar Coupling Enhanced NMR Spectroscopy and Chiroptics: A Powerful Combination for the Complete Elucidation of Symmetrical Small Molecules [J] . Dr. Carlos Pérez-Balado, Han Sun, Prof. Christian Griesinger, Chemistry - A European Journal . 2011,第43期

机译：残留偶极耦合增强的NMR光谱学和按摩疗法：完全阐明对称小分子的有力组合
3. Giant residual dipolar ~(13)C-~1H couplings in high-spin organoiron complexes: Elucidation of their structures in solution by ~(13)C NMR spectroscopy [J] . Kruck M., Wadepohl H., Enders M., Chemistry: A European journal . 2013,第5期

机译：高旋转有机铁配合物中巨大的残留偶极〜（13）C-〜1H偶联：〜（13）C NMR光谱阐明溶液中它们的结构
4. Algorithms and Analytic Solutions Using Sparse Residual Dipolar Couplings for High-Resolution Automated Protein Backbone Structure Determination by NMR [C] . Anna Yershova, Chittaranjan Tripathy, Pei Zhou, Algorithmic foundations of robotics IX . 2010

机译：使用稀疏残留偶极联轴器的高分辨率自动核磁共振蛋白质骨架结构测定算法和解析解
5. Development and structural application of NMR methods for the measurement of residual dipolar couplings and phosphorus-31 chemical shift anisotropy in RNA, using ribosomal helix-35 psi(746) as a model molecule. [D] . O'Neil-Cabello, Erin. 2004

机译：使用核糖体螺旋-35 psi（746）作为模型分子，用于测量RNA中残留偶极偶合和磷31化学位移各向异性的NMR方法的开发和结构应用。
6. Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings [O] . Nikolaos G. Sgourakis, Oliver F. Lange, Frank DiMaio, -1

机译：从NMR化学位移和残留偶极偶合确定对称蛋白低聚物的结构
7. Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings [O] . Sgourakis, Nikolaos G., Lange, Oliver F., DiMaio, Frank, 2011

机译：从NMR化学位移和残留偶极偶合确定对称蛋白低聚物的结构
8. Heteronuclear Dipolar Couplings, Total Spin Coherence, and Bilinear Rotations in NMR Spectroscopy [R] . Garbow, J. R. 1983

机译：核磁共振波谱中的异核双极耦合，总自旋相干和双线性旋转

Residual dipolar coupling enhanced NMR spectroscopy and chiroptics: A powerful combination for the complete elucidation of symmetrical small molecules

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