常用化学软件综述（A review of commonly used chemical software）.docVIP

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常用化学软件综述（A review of commonly used chemical software）.doc

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常用化学软件综述（A review of commonly used chemical software）

常用化学软件综述（A review of commonly used chemical software） A review of commonly used chemical software As a tool for chemistry learning and research, computer plays an irreplaceable role. It can not only help us to do the paperwork such as text and graphic processing, but also help us to work faster and better in all aspects of chemistry, learning and research. This chapter introduces some commonly used chemistry software in PC, in order to help readers to make effective and quick choice in their own study and research. Chemical formula The chemical structure of the editing software on the market very much, they each one has his good points. Available goods are also available free of charge to the education and household. Its function is mainly to describe the chemical formula, chemical reaction equation, chemical flow chart, simple experiment device diagram and so on. Common software like this is: ChemDraw, ChemWindow, ISIS, Draw, ChemSketch, and so on. The first two are commercial software, and information about them can be found on their websites / and /, with the latest versions of 6 and 6.5, respectively. The latter two for education and home for free software, can be downloaded on their respective websites / and /, the latest version of 2.2 and 4, respectively. ChemDraw is the most commonly used structured editing software, in addition to the general function described above, the ultra version can also be common physical and chemical properties such as melting point, molecular prediction of heat of formation; on the structure according to the principle of IUPAC named proton and carbon 13; prediction of chemical shift. One of the most prominent feature of the ChemWindow is combined with the spectrum, its 6.5 version of Spectroscopy includes an approximately fifty thousand 13C NMR database (250 MB), thus the more accurate forecasting; in addition to the 13C NMR chemical shift prediction compound structure, can predict IR, MS and more can NMR, IR, Raman, UV and chroma