SIR97:: a new tool for crystal structure determination and refinement

SIR97:: a new tool for crystal structure determination and refinement
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DOI:
10.1107/s0021889898007717
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发表时间:
1999-02-01
影响因子:
6.1
通讯作者:
Spagna, R
Spagna, R
中科院分区:
材料科学3区
文献类型:
--
作者:
Altomare, A;Burla, MC;Spagna, R

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SIR97是两个程序SIR92和CAOS的集成,第一个程序致力于通过直接方法求解晶体结构,第二个程序通过最小二乘傅立叶程序进行细化。该程序还提供出版物表格和CIF文件。
SIR97 is the integration of two programs, SIR92 and CAOS, the first devoted to the solution of crystal structures by direct methods, the second to refinement via least-squares-Fourier procedures Several new features have been introduced in SIR97 with respect to the previous version, SIR92: greater automatization, increased efficiency of the direct methods section, and a powerful graphics interface. The program also provides publication tables and CIF files.