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小木虫论坛-学术科研互动平台 » 计算模拟区 » 量子化学 » 量化图形可视化软件 » 【求助】How to draw this picture with gaussView using fchk file?
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dewpoint

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[交流] 【求助】How to draw this picture with gaussView using fchk file?

I have the fchk file of a molecular, and i want to use gaussview to give the molecular orbitals, like the picture shown below, in which not only the molecular orbital is shown but also show the atoms involved in the orbitals. I can get the molecular orbital, but i can not show the atoms involved in the orbitals. If you know, please explain that to me in detail. Thanks!
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1楼 2011-03-15 17:43:52
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crystal0714

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小木虫(金币+0.5):给个红包，谢谢回帖交流
dewpoint(金币+1): Thanks! 2011-03-16 22:35:06
引用回帖:
Originally posted by dewpoint at 2011-03-15 17:43:52:
I have the fchk file of a molecular, and i want to use gaussview to give the molecular orbitals, like the picture shown below, in which not only the molecular orbital is shown but also show the ato ...

You can try to use GAUSSVIEW, after you get the orbital picture, you can click the right mouse button, and view→display format→surface→format→transparent , then you can get the picture you want.
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2楼2011-03-16 09:41:34
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dewpoint

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Thanks! It worked!
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3楼2011-03-16 22:33:24
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yangfan0818

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引用回帖:
Originally posted by dewpoint at 2011-03-15 17:43:52:
I have the fchk file of a molecular, and i want to use gaussview to give the molecular orbitals, like the picture shown below, in which not only the molecular orbital is shown but also show the ato ...

请问一下，这个绿色和红色代表的是什么意思啊，每次看这个分子图，一直都没有明白这个是什么意思
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4楼2011-03-17 10:50:19
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