| 常用化学计算及数据处理软件对比分析 |
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| 引用本文： | 吕维忠,刘波,吴奕光,韦少慧,游新奎,蔡力行.常用化学计算及数据处理软件对比分析[J].广州化工,2006,34(5):11-13. |
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| 作者姓名： | 吕维忠 刘波 吴奕光 韦少慧 游新奎 蔡力行 |
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| 作者单位： | 深圳大学应用化学系,广东,深圳,518060 |
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| 摘 要： | 介绍了Origin,Excell,ChemSketch,ChemDraw等常用化学数据处理软件,并对这四种化学绘图软件进行了比较。Origin数据分析简单数学运算,统计分析,快速傅立叶变换,数据平滑和滤波,基线和峰值分析等强大的分析工具;Excel提供的主要是电子表格功能;ChemSketch可以计算所绘分子的摩尔质量、分子组成、表面张力、密度等化学物质的宏观性质; ChemDraw可以对化合物结构进行分析计算。
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| 关 键 词： | 化学软件 数据处理 对比分析 |
Comparative Analysis of Chemistry Data Processing Software |
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| LV Wei-zhong,LIU Bo,WU Yi-guang,WEI Shao-hui,YOU Xin-kui,CAI Li-xing.Comparative Analysis of Chemistry Data Processing Software[J].GuangZhou Chemical Industry and Technology,2006,34(5):11-13. |
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| Authors: | LV Wei-zhong LIU Bo WU Yi-guang WEI Shao-hui YOU Xin-kui CAI Li-xing |
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| Affiliation: | Department of Applied Chemistry, Shenzhen University, Shenzhen 518060, China |
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| Abstract: | Some chemistry data processing software such as Origin,Excel,ChemSketch and ChemDraw were introduced, and these chemistry software were comparative analyzed in the paper. Origin data analysis included simple math, statistics, fast fourier transform, data smoothing and filtering. Excel mainly provides electric sheet. ChemSketch can calculate formula weight, composition, surface tension, density et al. ChemDraw can analyze or calculate compound structure. |
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| Keywords: | chemistry software data processing comparative analysis |
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