Data handling in NMR facilities and assignment of NMR spectra in synthetic chemistry labs: Why electronic structure validation should become part of the routine

Liermann Johannes C.; Schloerer Nils E.

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Data handling in NMR facilities and assignment of NMR spectra in synthetic chemistry labs: Why electronic structure validation should become part of the routine

机译：NMR设施中的数据处理和合成化学实验室中的NMR谱分配：为什么电子结构验证应该成为常规的一部分

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来源
《Magnetic Resonance in Chemistry: MRC》 |2018年第6speca期|共7页
作者
Liermann Johannes C.; Schloerer Nils E.;
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Johannes Gutenberg Univ Mainz Inst Organ Chem Duesbergweg 10-14 D-55128 Mainz Germany;

Univ Cologne Dept Chem Greinstr 4 D-50939 Cologne Germany;

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正文语种 eng
中图分类磁化学分析法;
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1. Data handling in NMR facilities and assignment of NMR spectra in synthetic chemistry labs: Why electronic structure validation should become part of the routine [J] . Liermann Johannes C., Schloerer Nils E. Magnetic Resonance in Chemistry: MRC . 2018,第6Speca期

机译：NMR设施中的数据处理和合成化学实验室中的NMR谱分配：为什么电子结构验证应该成为常规的一部分
2. Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2-a free in-house NMR database with integrated LIMS for academic service laboratories [J] . Kuhn Stefan, Schloerer Nils E. Magnetic Resonance in Chemistry: MRC . 2015,第8期

机译：促进小有机分子光谱分配的质量控制：nmrshiftdb2-免费的内部NMR数据库，带有集成LIMS的学术服务实验室
3. Two new Ni(II) Schiff base complexes: X-ray absolute structure determination, synthesis of a N-15-labelled complex and full assignment of its H-1 NMR and C-13 NMR spectra [J] . Langer V, Popkov A, Nadvornik M, Polyhedron: The International Journal for Inorganic and Organometallic Chemistry . 2007,第4期

机译：两种新的Ni（II）Schiff碱配合物：X射线绝对结构测定，N-15标记的配合物的合成及其H-1 NMR和C-13 NMR光谱的完全归属
4. Incorporating triple resonance experiment data into NVR for NMR protein structure-based assignments [C] . Ekren Seyma Nur, Apaydin Mehmet Serkan Signal Processing and Communications Applications Conference . 2014

机译：将三重共振实验数据合并到NVR中以进行基于NMR蛋白质结构的分配
5. Membrane protein secondary structure and spectral assignments by solid state NMR: Streptomyces lividans KcsA potassium channel and Escherichia coli ATP synthase subunit c. [D] . Varga, Krisztina. 2005

机译：固态NMR膜蛋白的二级结构和光谱分配：链霉菌Lividans KcsA钾通道和大肠杆菌ATP合酶亚基c。
6. Spectral editing of two-dimensional magic-angle-spinning solid-state NMR spectra for protein resonance assignment and structure determination [O] . K. Schmidt-Rohr, K. J. Fritzsching, S. Y. Liao, -1

机译：二维魔法角旋转固态NMR光谱的光谱编辑蛋白共振分配和结构测定
7. On the quality of NMR structures : methodology and tools for NMR data and structure validation [O] . Nabuurs S.B. 2006

机译：关于NMR结构的质量：NMR数据和结构验证的方法和工具

Data handling in NMR facilities and assignment of NMR spectra in synthetic chemistry labs: Why electronic structure validation should become part of the routine

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