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52457459921

银虫 (小有名气)

[交流] 几句单晶的翻译 (请各位帮忙)

The single crystal data were collected on a SMART APEX II CCD diffractometer at room temperature. For extracting intensities from CCD images the program Nonius was used. The structure were solved by direct methods and refined by full-matrix least-squares techniques. Non-hydrogen atoms were refined with anisotropic displacement parameters. H atoms were calculated and allowed to ride. Computer programs: structure solution, SHELXS-97 ,refinement, SHELXS-97 molecular diagrams, ORTEP.(主要是红色的!)

[ Last edited by 52457459921 on 2008-7-20 at 09:11 ]
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52457459921

银虫 (小有名气)

关键的几句都没翻译出来
3楼2008-07-20 09:07:50
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zhmj

木虫 (小有名气)

单晶数据通过 SMART APEX II CCD 衍射仪来收集。使用程序Nonuis来读取ccd图的强度。用直接法进行结构解析,并用全矩阵最小二乘法进行精修。非氢原子用ADP(各向异性位移参数)进行精修。氢原子通过计算(这句不明白)。计算程序有:structure solution, SHELXS-97 ,refinement, SHELXS-97 molecular diagrams, ORTEP.
2楼2008-07-20 08:44:13
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