24小时热门版块排行榜    

查看: 790  |  回复: 3
当前只显示满足指定条件的回帖,点击这里查看本话题的所有回帖

ylt

木虫 (著名写手)

[求助] 有人能帮我解决个B类问题吗?非常严重

PLAT782_ALERT_2_B Unusual geometry for C-CO2 moiety involving .. C82

PLAT782 Type_2 Test for Unusual C-NO2 an C-CO2 moiety geometry
--------------------------------------------------------------------------------

The geometry of the reported moiety appears to be unusual/inconsistent.
The C-O bond distances in C-CO2 are expected to add up to about 2.5
The N-O bond distances in C-NO2 are expected to add up to about 2.4
回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐,对您同样有帮助:

学无止境
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

ylt

木虫 (著名写手)

引用回帖:
Originally posted by lyl163com at 2011-05-10 08:52:26:
1.你限制一下C-C键长
2.你限制一下C-N键长
这类错误往往是键长键角有问题。

谢谢 已经解决啦
学无止境
3楼2011-05-10 11:03:48
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 4 个回答

lyl163com

金虫 (正式写手)

【答案】应助回帖

★
ylt(金币+3): 2011-05-10 11:03:18
wsht212(金币+1): 2011-05-11 08:14:45
ylt(金币+47): 2011-05-11 21:17:16
引用回帖:
Originally posted by ylt at 2011-05-10 00:08:48:
PLAT782_ALERT_2_B Unusual geometry for C-CO2 moiety involving .. C82

PLAT782 Type_2 Test for Unusual C-NO2 an C-CO2 moiety geometry
------------------------------------------------------------- ...

1.你限制一下C-C键长
2.你限制一下C-N键长
这类错误往往是键长键角有问题。
2楼2011-05-10 08:52:26
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

liuxupiao878

金虫 (正式写手)

引用回帖:
1楼: Originally posted by ylt at 2011-05-10 00:08:48:
PLAT782_ALERT_2_B Unusual geometry for C-CO2 moiety involving .. C82

PLAT782 Type_2 Test for Unusual C-NO2 an C-CO2 moiety geometry
------------------------------------------------------------- ...

这几个问题,您已经解决了,对吗?请问您是怎么解决的?您是怎么限制键长的?谢谢!
4楼2011-11-15 14:05:40
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[硕博家园] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 +4 2rKfVQg2jQww 2026-11-06 5/250 2026-11-07 17:23 by Xc2FxHsHkBNc
[考研] 售SCI文章,我:8O.5.5.1O.54,科目全,可十急 +3 5sJFDKp2kwuI 2026-11-06 4/200 2026-11-07 16:50 by Xc2FxHsHkBNc
[教师之家] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 +4 5sJFDKp2kwuI 2026-11-06 6/300 2026-11-07 15:44 by Xc2FxHsHkBNc
[公派出国] 售SCI文章,我:8O5.5.1.O.54,科目齐全,可+急 +8 ncTVBM6AOJHF 2026-11-04 23/1150 2026-11-07 06:49 by Equinoxhua
[考博] 售SCI一区文章,我:8.O.55.1.O.54,科目齐全,可伽急 +10 ncTVBM6AOJHF 2026-11-04 22/1100 2026-11-06 17:18 by 5sJFDKp2kwuI
[考博] 售SCI一区文章,我:8O5.5.1.O5.4,科目全,可伽急 +6 ELBZ6WwEaRj6 2026-11-05 8/400 2026-11-06 16:34 by 5sJFDKp2kwuI
[公派出国] 售SCI-T0P文章,我:8O.5.5.1.O.54,科目齐全,可+急 +6 ELBZ6WwEaRj6 2026-11-04 11/550 2026-11-06 16:32 by 5sJFDKp2kwuI
[公派出国] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 +6 ncTVBM6AOJHF 2026-11-04 15/750 2026-11-06 13:49 by BkA9Bi5cMhkD
[硕博家园] 售SCI一区文章,我:8.O.551.O.5.4,科目全,可伽急 +6 ncTVBM6AOJHF 2026-11-04 11/550 2026-11-06 13:47 by BkA9Bi5cMhkD
[公派出国] 售SCI-T0P文章,我:8O.5.5.1.O.54,科目齐全,可+急 +8 ncTVBM6AOJHF 2026-11-04 12/600 2026-11-06 13:47 by BkA9Bi5cMhkD
[硕博家园] 售SCI一区T0P文章,我:8O.55.1.O.54,科目全,可伽急 +8 ncTVBM6AOJHF 2026-11-04 14/700 2026-11-06 13:36 by BkA9Bi5cMhkD
[考研] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +8 ncTVBM6AOJHF 2026-11-04 18/900 2026-11-06 13:36 by BkA9Bi5cMhkD
[硕博家园] 售SCI一区文章,我:8.O.55.1.O.54,科目齐全,可伽急 +3 ELBZ6WwEaRj6 2026-11-04 12/600 2026-11-06 05:32 by qL1cU46YIdK0
[考博] 售SCI一区T0P文章,我:8.O.55.1.O54,科目全,可伽急 +4 kvewwGtKktqB 2026-11-04 11/550 2026-11-06 05:10 by qL1cU46YIdK0
[公派出国] 售SCI一区T0P文章,我:8.O.55.1.O54,科目全,可伽急 +5 kvewwGtKktqB 2026-11-04 14/700 2026-11-06 05:10 by qL1cU46YIdK0
[公派出国] 售SCI-T0P文章,我:8O.5.5.1.O.54,科目齐全,可+急 +3 ELBZ6WwEaRj6 2026-11-04 9/450 2026-11-06 02:15 by qL1cU46YIdK0
[考博] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +4 ttH3f1oA6ace 2026-11-04 7/350 2026-11-06 02:13 by qL1cU46YIdK0
[硕博家园] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 +4 hNpp4Y2CGvSC 2026-11-04 12/600 2026-11-06 01:53 by qL1cU46YIdK0
[考研] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +5 ncTVBM6AOJHF 2026-11-04 12/600 2026-11-06 01:42 by qL1cU46YIdK0
[教师之家] 售SCI一区T0P文章,我:8O.55.1.O.54,科目全,可伽急 +4 ncTVBM6AOJHF 2026-11-04 12/600 2026-11-05 11:10 by PYZmcHr5kSaq
信息提示
请填处理意见