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[热点] 天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人） a793625982 2026-02-10 刚刚
[Gaussian] 【求助】分子筛优化问题 (9/755) tangbaowei 2010-05-11 2010-05-17 11:08:46 by tangbaowei
[Gaussian] 【求助】关于高斯计算出错及G98链接 (0/501) wangrong6758 2010-05-15 2010-05-17 10:46:53 by wangrong6758
[Gaussian] 【求助】求助 (0/370) hellogod 2010-05-17 2010-05-17 10:18:35 by hellogod
[Gaussian] 【求助】Gaussian计算报错 (6/1057) zhoujinwen 2010-05-15 2010-05-17 08:53:11 by 王中学
[Gaussian] 【求助】gaussian中的能量问题 (3/510) 314202528 2010-05-15 2010-05-17 07:19:26 by yyx19840628
[Gaussian] 【求助】在gaussian中关于Gen的使用 (1/397) lb1586551 2010-05-16 2010-05-16 18:33:43 by lb1586551
[Gaussian] 【求助】势能面扫描 (6/652) kekexiliwolf 2010-05-14 2010-05-16 17:58:51 by qzhaosdu
[Gaussian] 【求助】G09能否用dft计算旋轨耦合 (5/1236) zsy-dlut 2010-05-13 2010-05-16 09:57:06 by forestwolf9291
[Gaussian] 【求助】如何用GaussianView图示稳定构象的振动频率 (2/362) yeziwon 2010-05-15 2010-05-16 08:57:07 by yeziwon
[Gaussian] 【求助】红外光谱会随温度、压强的变化而变化吗 (1/308) bingyu8011 2010-05-14 2010-05-15 21:48:50 by yytsnake
[Gaussian] 【求助】找过渡态出错 (0/124) 314202528 2010-05-15 2010-05-15 21:34:17 by 314202528
[Gaussian] 【讨论】大家计算重元素的性质时有没有考虑相对论效应呢？ (7/2337) 时光匆匆 2009-07-22 2010-05-15 10:00:02 by 天空空
[Gaussian] 【求助】【求助】优化701错误，请求大家帮忙 (8/1780) YYTDD1124 2009-05-22 2010-05-15 09:09:15 by 小鱼儿1703
[Gaussian] 【求助】请教大家优化结构时双Zeta基组和三Zeta基组会产生质的差别吗？ (2/691) qzhaosdu 2010-05-14 2010-05-15 08:54:21 by 3867826
[Gaussian] 【求助】请问Dyson轨道是什么，用高斯计算在哪儿可以读出来 (7/1170) kekemi_1127 2010-05-12 2010-05-14 15:21:57 by kekemi_1127
[Gaussian] 【求助】优化结果的精度问题 (4/376) 569480531 2010-05-13 2010-05-14 09:13:49 by 569480531
[Gaussian] 【求助】反应物和产物颠倒了 (8/860) 569480531 2010-05-11 2010-05-13 16:05:31 by 569480531
[Gaussian] 【求助】如何用guess=read调出以前算过的chk文件 (2/2787) waterlily1715 2010-05-13 2010-05-13 15:58:25 by 569480531
[Gaussian] 【求助】gaussian 错误求助(完结) (3/625) 11shishui 2010-05-11 2010-05-13 11:53:29 by sunhaitao
[Gaussian] 【求助】l601 (1/335) 小鱼儿1703 2010-05-13 2010-05-13 11:21:12 by shankemylove
[Gaussian] 【求助】L502 错误…… (4/1837) 小鱼儿1703 2010-05-12 2010-05-13 09:43:37 by 小鱼儿1703
[Gaussian] 【求助】ADF2008的COSMO-RS能利用Gaussian03 计算的cosmo文件吗？ (0/453) googo66 2010-05-13 2010-05-13 09:21:22 by googo66
[Gaussian] 【求助】大家帮我看一下，这个图纵坐标bending-energy 怎么得来的？ (0/460) LuPeng5366 2010-05-12 2010-05-12 23:41:18 by LuPeng5366
[Gaussian] 【求助】用高斯03计算的结构中包含碘负离子，用什么基组计算得到的结果最准确呢？ (9/3414) happyly3882 2010-04-29 2010-05-12 22:56:56 by yongleli
[Gaussian] 【求助】质子化环丙烷酮结构优化结果总是开环了，该怎么办 (3/818) platinhom 2010-05-06 2010-05-12 21:26:17 by alexander8108
[Gaussian] 【求助】关于势能扫描错误 (4/675) shinee 2010-05-12 2010-05-12 20:47:00 by shinee
[Gaussian] 【求助】应用 (1/231) 1983liuhb 2010-05-12 2010-05-12 19:03:00 by sunhaitao
[Gaussian] 【求助】关于gaussianzho中的SMD模式? (1/669) hngs 2010-05-12 2010-05-12 18:12:11 by lihb734
[Gaussian] 【求助】请教gaussian计算光谱问题 (1/383) bingyu8011 2010-05-12 2010-05-12 17:29:49 by kekexiliwolf
[Gaussian] 【求助】为什么改变温度和压强后红外光谱无变化 (2/273) bingyu8011 2010-05-12 2010-05-12 17:04:33 by qzhaosdu
[Gaussian] 【求助】【求助】UFF方法计算吡啶咋分子筛上吸附时遇到的问题 (5/1365) pottery1314 2010-05-10 2010-05-12 16:12:55 by pottery1314
[Gaussian] 【求助】溶剂化输出 (0/379) nanjinger 2010-05-12 2010-05-12 15:24:34 by nanjinger
[Gaussian] 【求助】关于Linux下输出文件的问题！ (3/892) shuo2008 2010-05-09 2010-05-12 13:37:37 by ybyygu
[Gaussian] 【求助】重金求稀土基组表示方法 (8/1139) agou8888 2010-05-06 2010-05-12 12:31:11 by forestwolf9291
[Gaussian] 【求助】求大家给我，ONIOM方法，低层采用UFF计算的例子的输入文件一个 (1/692) pottery1314 2010-04-27 2010-05-12 11:16:54 by pottery1314
[Gaussian] 【讨论】Gaussian 09调用内存的问题 (3/812) majun04 2010-05-10 2010-05-12 09:13:45 by Jasminer
[Gaussian] 【求助】用cube文件画HOMO和LUMO轨道 (7/1179) zzl7337 2010-05-11 2010-05-11 17:33:11 by zzl7337
[Gaussian] 【求助】溶剂计算光谱急求帮助 (7/641) lixiaona158 2010-05-06 2010-05-11 17:06:25 by lixiaona158
[Gaussian] 【求助】扫描势能面时，键长的增量能定义负值吗？ (3/697) gnli 2010-05-11 2010-05-11 15:59:54 by gnli
[Gaussian] 【求助】中断 继续…… (0/349) 小鱼儿1703 2010-05-11 2010-05-11 12:07:55 by 小鱼儿1703
[Gaussian] 【求助】优化后……    ( 1 2 ) (16/858) 小鱼儿1703 2010-05-09 2010-05-11 12:02:14 by 小鱼儿1703
[Gaussian] 【求助】溶剂化出现虚频 (2/568) nanjinger 2010-05-11 2010-05-11 10:43:39 by nanjinger
[Gaussian] 【求助】windows下计算怎么重新开始一个失败的计算 (2/489) kekexiliwolf 2010-05-10 2010-05-11 10:24:45 by yyx19840628
[Gaussian] 【讨论】第一超极化率 （first hyperpolarizability） (3/720) zyr3365754 2010-05-01 2010-05-11 08:23:48 by nanasj
[Gaussian] 【求助】【紧急求助】关于开壳层的轨道互换 (9/1404) xiguatailan 2010-04-01 2010-05-11 00:24:25 by xiguatailan
[Gaussian] 【求助】Fukui函数的计算 (4/1215) riodiego 2010-05-09 2010-05-10 17:56:14 by caohuiming
[Gaussian] 【求助】溶剂中计算光谱出现问题    ( 1 2 ) (14/1328) lixiaona158 2010-05-06 2010-05-10 17:39:29 by lihb734
[Gaussian] 【求助】计算不收敛怎么办？ (4/1859) waterlily1715 2010-05-10 2010-05-10 15:08:00 by waterlily1715
[Gaussian] 【求助】烷烃优化出现l202错误 (2/415) fcfifa2002 2010-05-07 2010-05-10 12:34:45 by cxc521
[Gaussian] [专家] 【求助】二阶超极化率的问题。 (1/492) ggdh 2010-04-28 2010-05-10 10:56:08 by xtdut
[Gaussian] 【求助】如何用oniom方法做单点 (0/349) chemlilyzhao 2010-05-10 2010-05-10 09:13:35 by chemlilyzhao
[Gaussian] 【求助】请哪位大侠帮忙算下这几个程序 (8/1357) zhaoyuanting 2010-04-15 2010-05-10 09:05:45 by zhaoyuanting
[Gaussian] 【求助】计算 中断 (1/247) 小鱼儿1703 2010-05-09 2010-05-09 22:30:07 by 小鱼儿1703
[Gaussian] 【求助】+1阳离子优化，出错信息看不懂啊，Leave Link 701 (6/1376) zlf412 2010-05-07 2010-05-09 19:29:11 by nanasj
[Gaussian] 【求助】求助关于催化反应中两个反应物之间的电子转移的计算 (4/1372) hjsjs 2010-05-08 2010-05-09 16:30:42 by hjsjs
[Gaussian] 【求助】大家用gaussian算graphene吗 (4/478) 贾贾 2010-05-07 2010-05-09 13:36:08 by 贾贾
[Gaussian] 【求助】大家帮忙看看用gaussian算的DOS图 (1/285) 贾贾 2010-05-08 2010-05-09 13:34:37 by 贾贾
[Gaussian] 【求助】error：SCF is confused    ( 1 2 ) (14/1729) gnli 2009-12-30 2010-05-09 11:20:44 by yflchx
[Gaussian] 【求助】gassian计算中出现的错误    ( 1 2 ) (10/1536) waterlily1715 2010-05-07 2010-05-09 10:51:50 by waterlily1715
[Gaussian] 【求助】阳离子化合物（+1）优化需要用开壳层吗？ (4/898) sunhaitao 2010-05-08 2010-05-09 10:22:24 by sunhaitao
[Gaussian] 【求助】+1阳离子化合物（共轭结构），做HOMO-LUMO能量 (8/961) sunhaitao 2010-05-07 2010-05-08 23:02:31 by sunhaitao
[Gaussian] 【求助】关于优化 (9/1002) caozf 2010-05-04 2010-05-08 17:34:16 by 雪狼乖乖
[Gaussian] 【求助】菜鸟求助！！！ (6/856) 学员UKbkc5 2010-04-25 2010-05-08 16:20:22 by xiaochi10
[Gaussian] 【求助】请教 (2/268) ww1987 2010-05-07 2010-05-08 16:14:48 by xiaochi10
[Gaussian] 【求助】Gaussian激发态关键词Nroot和Nstates (0/417) exabyss916 2010-05-08 2010-05-08 09:32:57 by exabyss916
[Gaussian] 【求助】用Gaussian能不能计算碰撞反应的Cross sections.能的话，怎么算啊？（急） (0/196) LuPeng5366 2010-05-08 2010-05-08 08:43:44 by LuPeng5366
[Gaussian] 【求助】基组输入 (4/732) dahuchang 2010-05-04 2010-05-07 23:53:42 by ZJboy
[Gaussian] [关贴]【求助】有限场法计算二阶超极化率，输出文件怎么看？ (7/992) minisun 2010-04-09 2010-05-07 13:32:50 by xtdut
[Gaussian] 【求助】population-weighted (1/293) wuming890 2010-05-07 2010-05-07 13:14:32 by lihb734
[Gaussian] 【求助】BSSE-corrected binding 的问题 (0/250) zhaideming 2010-05-07 2010-05-07 11:29:13 by zhaideming
[Gaussian] 【求助】[求助]MP2做freq中报错信息 (4/661) spring965 2010-05-05 2010-05-07 09:26:35 by spring965
[Gaussian] 【求助】关于自旋多重度 (2/545) 569480531 2010-05-06 2010-05-07 08:36:16 by 569480531
[Gaussian] 【求助】什么地方可以查到zpe scaling factor??? (1/581) hzfish 2010-05-06 2010-05-06 20:22:08 by erylingjet
[Gaussian] 【求助】dalton-2.0编译及测试问题【完结】    ( 1 2 ) (评阅+5) (18/1819) zhangguangping 2010-04-03 2010-05-06 17:57:54 by zhangguangping
[Gaussian] 【求助】关于gaussian计算稀土元素的赝势的问题 (3/1208) qiwei505 2010-05-06 2010-05-06 17:19:13 by lihb734
[Gaussian] 【求助】请教一个基组的问题 (2/411) waterlily1715 2010-05-06 2010-05-06 17:16:05 by lihb734
[Gaussian] 【求助】盐怎么用gaussian算啊 (0/148) god110 2010-05-06 2010-05-06 16:14:07 by god110
[Gaussian] 【求助】20金币求助服务器问题    ( 1 2 ) (16/1532) cdmcc 2009-08-13 2010-05-06 13:53:00 by pwzhou
[Gaussian] 【求助】新手求助能量密度以及对称性问题 (4/481) 风干了 2010-04-28 2010-05-06 11:20:06 by 风干了
[Gaussian] 【求助】在溶剂中优化结构怎么写输入命令，溶剂为二氯甲烷 (3/754) niuwenyu86 2010-05-05 2010-05-06 09:40:49 by sheskybird
[Gaussian] 【求助】溶剂化计算写入错误 (5/668) sheskybird 2010-05-04 2010-05-06 09:23:29 by sheskybird
[Gaussian] 【求助】914错误 (5/645) 阳光向上666 2010-05-05 2010-05-06 09:15:10 by zhangmt
[Gaussian] 【求助】请问二聚体的电离能计算方法 (2/410) luolun2008 2010-05-05 2010-05-06 08:50:04 by luolun2008
[Gaussian] 【求助】高斯编程错误 赝势 热化学 (5/886) dieryuzhou 2010-05-05 2010-05-06 00:06:54 by zhangmt
[Gaussian] [关贴]【讨论】根据你的使用，G09比G03到底有哪些改进。 (9/1982) loovfnd 2010-03-11 2010-05-06 00:02:30 by snoopyzhao
[Gaussian] 【求助】MS中gaussian的使用 (5/3176) yinwei_li 2010-05-04 2010-05-05 14:14:03 by yinwei_li
[Gaussian] 【求助】哪位大虫能告诉我高斯晶体建构时用到的原子坐标a，b，c怎么设定呢？ (2/328) 端木青 2010-05-04 2010-05-05 11:15:49 by 端木青
[Gaussian] 【求助】共轭体系 homo-lumo gap (3/1106) sunhaitao 2010-05-05 2010-05-05 10:32:25 by qq562676669
[Gaussian] 精华II:  【求助】前线轨道研究反应选择性的问题    ( 1 2 3 ) (24/4149) csfn 2009-09-13 2010-05-05 09:13:20 by caozf
[Gaussian] 【求助】优化 (3/326) yling10 2010-05-04 2010-05-04 16:46:08 by yling10
[Gaussian] 【求助】在频率计算的输出文件中，热力学部分的值的意义是什么 (2/450) 11shishui 2010-05-04 2010-05-04 12:42:11 by xiaoxia8303
[Gaussian] 【求助】gaussian03 优化Fe-BEA 分子筛问题 (0/202) tangbaowei 2010-05-04 2010-05-04 10:20:58 by tangbaowei
[Gaussian] 【讨论】分步opt和freq的能量为何不同 (5/1319) forestwolf9291 2010-05-03 2010-05-04 09:42:19 by yjcmwgk
[Gaussian] 【讨论】量化进行大体系计算 (2/401) 043114076 2010-05-01 2010-05-04 09:00:46 by 043114076
[Gaussian] 【求助】高斯优化问题 (金币≥100)(2/55) 张成林 2010-04-29 2010-05-04 08:39:13 by gyli
[Gaussian] 【求助】Gauss计算中的问题，谢谢【已解决】 (3/467) 11shishui 2010-05-02 2010-05-03 22:45:10 by 11shishui
[Gaussian] 【求助】高斯赝势基组的输入问题，我的输入哪里有错？ (8/1956) ZCY2009 2010-04-30 2010-05-03 20:58:55 by 3867826
[Gaussian] 【求助】请问Gauss频率计算给出的四个能量值的温度 (3/527) kaluoyi2008 2010-05-03 2010-05-03 17:25:50 by wang0912302
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