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晶体工程中的电荷密度分析

Charge density analysis for crystal engineering.

作者信息

Krawczuk Anna, Macchi Piero

机构信息

Faculty of Chemistry, Jagiellonian University, Ingardena 3, Krakow, 30-060 Poland.

Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, Bern, 3012 Switzerland.

出版信息

Chem Cent J. 2014 Dec 16;8(1):68. doi: 10.1186/s13065-014-0068-x. eCollection 2014.

Abstract

This review reports on the application of charge density analysis in the field of crystal engineering, which is one of the most growing and productive areas of the entire field of crystallography. While methods to calculate or measure electron density are not discussed in detail, the derived quantities and tools, useful for crystal engineering analyses, are presented and their applications in the recent literature are illustrated. Potential developments and future perspectives are also highlighted and critically discussed. Graphical abstractᅟ

摘要

本综述报道了电荷密度分析在晶体工程领域的应用,晶体工程是整个晶体学领域中发展最快且成果丰硕的领域之一。虽然未详细讨论计算或测量电子密度的方法,但介绍了对晶体工程分析有用的导出量和工具,并举例说明了它们在近期文献中的应用。还重点介绍并批判性地讨论了潜在的发展和未来前景。图形摘要ᅟ

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f476/4267427/c887641c4809/13065_2014_Article_68_Figa_HTML.jpg

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