NATURE OF MOLECULAR-CONFORMATIONS INFERRED FROM HIGH-RESOLUTION NMR
NATURE OF MOLECULAR-CONFORMATIONS INFERRED FROM HIGH-RESOLUTION NMR
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DOI：
10.1016/0005-2795(80)90174-9
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发表时间：
1980-01-01
期刊：
影响因子：
--
通讯作者：
JARDETZKY, O
中科院分区：
文献类型：
--
作者：
JARDETZKY, O
从高分辨率核磁共振参数(位移、耦合常数和驰豫时间)推导柔性分子的平均构象的基本前提(通常是未陈述的)被批判性地检验。在对平均值有贡献的个体构象未知的情况下，从光谱数据得出的平均值表示的是缺乏物理意义的虚拟结构。
The basic, usually unstated, premises underlying the derivation of average conformations of flexible molecules from high-resolution NMR parameters (shifts, coupling constants and relaxation times) are critically examined. In cases where the individual conformers contributing to the average are not known the average derived from spectroscopic data represents a virtual structure devoid of physical meaning.