在我们信任的数据中：用于电荷密度研究的X射线衍射实验。

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2023-10-01 Epub Date: 2023-09-19 DOI:10.1107/S205252062300776X

Regine Herbst-Irmer

引用次数: 0

摘要

Vosegaard等人对论文进行了简短的评论。[Acta Cryst.（2023），79380-391]，该论文将从传统衍射仪上测量的四个数据集得出的电荷密度模型与SPring-8的高质量数据集的结果进行了比较。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

$In data we trust: X-ray diffraction experiments for charge density investigations.$

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In data we trust: X-ray diffraction experiments for charge density investigations.

A short commentary is given on the paper by Vosegaard et al. [Acta Cryst. (2023), 79, 380-391], which compares charge density models derived from four datasets measured on conventional diffractometers with the results of a high-quality dataset from SPring-8.

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来源期刊

Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.