Bendeif El-eulmi, Jelsch Christian
Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques, CNRS, UMR 7036, Université Henri Poincaré Nancy 1, Faculté des Sciences, Vandoeuvre lès Nancy Cedex, France.
Acta Crystallogr C. 2007 Jun;63(Pt 6):o361-4. doi: 10.1107/S0108270107021671. Epub 2007 May 24.
The crystal structure of L-aspartic acid, C(4)H(7)NO(4), has been determined using two types of refinement, viz. the standard independent atom model (IAM) and the experimental library multipolar atom model (ELMAM). The ELMAM refinement shows a good improvement of the statistical indices compared with the IAM model, notably in terms of thermal displacement parameters and bond distances involving H atoms.
已使用两种精修方法确定了L-天冬氨酸（C₄H₇NO₄）的晶体结构，即标准独立原子模型（IAM）和实验库多极原子模型（ELMAM）。与IAM模型相比，ELMAM精修在统计指标方面有显著改善，特别是在涉及H原子的热位移参数和键长方面。
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