24小时热门版块排行榜    

查看: 558  |  回复: 3

dewpoint

金虫 (正式写手)


[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!
回复此楼

» 猜你喜欢

» 抢金币啦!回帖就可以得到:

查看全部散金贴

已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

crystal0714

金虫 (小有名气)



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.
2楼2011-03-16 09:41:34
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

dewpoint

金虫 (正式写手)


Thanks! It worked!
3楼2011-03-16 22:33:24
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

yangfan0818

金虫 (小有名气)


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
4楼2011-03-17 10:50:19
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 dewpoint 的主题更新
普通表情 高级回复 (可上传附件)
信息提示
请填处理意见