应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜    

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?
41/1返回列表
查看: 588  |  回复: 3
只看楼主 @他人 存档 新回复提醒 (忽略) 收藏    在APP中查看

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
1楼 2011-03-15 17:43:52
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.
赞一下(1人) 回复此楼
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!
赞一下 回复此楼
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
赞一下 回复此楼
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
41/1返回列表
普通表情 龙 兔 虎 猫 高级回复 (可上传附件)
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[考研] 化工专硕342，一志愿大连理工大学，求调剂 +3 kyf化工 2026-02-28 4/200 2026-03-01 16:49 by yywzz
[考研] 0805总分292，求调剂 +4 幻想之殇 2026-03-01 4/200 2026-03-01 16:47 by ms629
[考研] 285求调剂 +8 满头大汗的学生 2026-02-28 8/400 2026-03-01 16:47 by caszguilin
[考研] 材料化工调剂 +9 今夏不夏 2026-03-01 10/500 2026-03-01 16:01 by hmn_wj
[考研] 295求调剂 +6 19171856320 2026-02-28 6/300 2026-03-01 15:52 by jxstnuZYX
[考研] 311求调剂 +6 亭亭亭01 2026-03-01 6/300 2026-03-01 15:41 by 324616
[考研] 0856调剂 +4 刘梦微 2026-02-28 4/200 2026-03-01 15:35 by 吸一口猫气
[考研] 307求调剂 +5 wyyyqx 2026-03-01 5/250 2026-03-01 15:21 by Fff-1
[考研] 298求调剂 +9 人间唯你是清欢 2026-02-28 12/600 2026-03-01 14:23 by Ducount.Y
[考研] 0856材料专业298分有科研经历 硕士研究生调剂自荐信 +6 zyf上岸 2026-03-01 6/300 2026-03-01 12:43 by liqiongjy
[考研] 321求调剂一志愿东北林业大学材料与化工英二数二 +3 虫虫虫虫虫7 2026-03-01 6/300 2026-03-01 11:50 by gaoxiaoniuma
[考研] 调剂 +3 简木ChuFront 2026-02-28 3/150 2026-03-01 11:46 by 王伟要上岸啊
[考博] 博士自荐 +4 kkluvs 2026-02-28 4/200 2026-03-01 10:19 by 馥安馥安
[硕博家园] 2025届双非化工硕士毕业，申博 +3 更多的是 2026-02-27 4/200 2026-03-01 10:04 by ztg729
[论文投稿] 求助coordination chemistry reviews 的写作模板 10+3 ljplijiapeng 2026-02-27 4/200 2026-03-01 09:07 by babero
[考研] 298求调剂 +5 axyz3 2026-02-28 5/250 2026-03-01 06:45 by 刘兵
[考研] 272求调剂 +4 田智友 2026-02-28 4/200 2026-03-01 06:43 by 刘兵
[考研] 304求调剂 +3 52hz~~ 2026-02-28 5/250 2026-03-01 00:00 by 52hz~~
[考博] 26申博 +4 想申博！ 2026-02-26 4/200 2026-02-28 21:37 by limorning
[考研] 265分求调剂不调专业和学校有行学上就 +4 礼堂丁真258 2026-02-28 6/300 2026-02-28 16:18 by 求调剂zz
信息提示
关闭
请填处理意见
关闭