Interaction frequencies as a means to design multicomponent forms.

IF 2.5 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2026-08-01 DOI:10.1107/S205252062600795X

Paolo P Mazzeo

引用次数: 0

Abstract

Computational crystal engineering approaches to design multicomponent solid forms are a popular means to target experiments that are likely to result in successful outcomes. By utilizing statistics of intermolecular interactions across a large database of experimental crystal structures, Stevens et al. [Acta Cryst. (2026), B82, 391-398] provide a rapid means of identifying key synthons for rational cocrystal design.

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交互频率作为设计多组件表单的手段。

计算晶体工程方法设计多组分固体形式是一种流行的手段，目标实验有可能导致成功的结果。史蒂文斯等人利用大型实验晶体结构数据库中分子间相互作用的统计数据，[晶体学报]。（2026）， B82, 391-398]为合理的共晶设计提供了一种快速识别关键合成子的方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.