高级蕴涵理论对称表

IF 1.9 4区材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta Crystallographica Section A: Foundations and Advances Pub Date : 2024-03-01 Epub Date: 2024-02-08 DOI:10.1107/S2053273324000846

Frantisek Pavelcik

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引用次数: 0

摘要

所有 230 个空间组都具有多重蕴涵函数（MIF）组对称性。了解了 MIF 对称性，就可以计算出不对称单元。目前已开发出一种更精确的 MIF 计算程序。计算机生成了大量的 MIF 对称性和不对称单元表。用于晶体结构确定的蕴涵理论的发展似乎已经完成。

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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Advanced implication theory. Symmetry tables.

The MIF (multiple implication function) group symmetry was assigned to all 230 space groups. Knowledge of MIF symmetry allows the calculation of an asymmetric unit. A more accurate procedure for calculating MIFs has been developed. Extensive tables of MIF symmetry and asymmetric units were computer generated. The development of implication theory for crystal structure determination seems to have reached completion.

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来源期刊

Acta Crystallographica Section A: Foundations and Advances CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

2.60

自引率

11.10%

发文量

419

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.