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[热点] 退学或坚持读 难忘2018 2026-02-05 刚刚
[NBO/AIM] 【求助】有人在高斯上算过核磁位移吗？NBO算法算电荷用HF/6-311++g** 会不会过时了？ (1/666) happyly3882 2010-05-13 2010-05-14 10:13:44 by Jasminer
[Gaussian] 【求助】优化结果的精度问题 (4/367) 569480531 2010-05-13 2010-05-14 09:13:49 by 569480531
[量化新手 ] 【求助】吸收光谱振子强度 (2/747) zzl7337 2010-05-13 2010-05-13 21:37:32 by ggdh
[Gaussian] 【求助】反应物和产物颠倒了 (8/859) 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 (2/2780) waterlily1715 2010-05-13 2010-05-13 15:58:25 by 569480531
[Gaussian] 【求助】gaussian 错误求助(完结) (3/616) 11shishui 2010-05-11 2010-05-13 11:53:29 by sunhaitao
[Gaussian] 【求助】l601 (1/333) 小鱼儿1703 2010-05-13 2010-05-13 11:21:12 by shankemylove
[Gaussian] 【求助】L502 错误…… (4/1829) 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？ (0/451) 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？ (0/459) 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？ (9/3412) 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 (3/812) platinhom 2010-05-06 2010-05-12 21:26:17 by alexander8108
[Gaussian] 【求助】关于势能扫描错误 (4/672) shinee 2010-05-12 2010-05-12 20:47:00 by shinee
[Gaussian] 【求助】应用 (1/228) 1983liuhb 2010-05-12 2010-05-12 19:03:00 by sunhaitao
[Gaussian] 【求助】关于gaussianzho中的SMD模式? (1/668) hngs 2010-05-12 2010-05-12 18:12:11 by lihb734
[Gaussian] 【求助】请教gaussian计算光谱问题 (1/381) 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 (2/268) bingyu8011 2010-05-12 2010-05-12 17:04:33 by qzhaosdu
[量化新手 ] 【求助】求高斯PCM 可用的pyridine的介电常数 (6/673) CKX 2010-03-25 2010-05-12 16:27:44 by CKX
[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 (5/1358) pottery1314 2010-05-10 2010-05-12 16:12:55 by pottery1314
[量化新手 ] 【求助】文件转换 (7/614) caozf 2010-05-07 2010-05-12 15:52:16 by 小小知了
[Gaussian] 【求助】溶剂化输出 (0/373) nanjinger 2010-05-12 2010-05-12 15:24:34 by nanjinger
[版务] 【其他】有点乱呢 (金币≥65535)(3/21) yjcmwgk 2010-05-11 2010-05-12 14:22:24 by zhou2009
[Gaussian] 【求助】关于Linux下输出文件的问题！ (3/887) 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
[量化新手 ] 【求助】关于一个配合物的自旋多重度和P原子的警告 (9/2583) faqianliu 2010-05-11 2010-05-12 11:52:35 by faqianliu
[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 (1/687) pottery1314 2010-04-27 2010-05-12 11:16:54 by pottery1314
[Gaussian] 【讨论】Gaussian 09调用内存的问题 (3/807) 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 (7/1166) 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 (7/602) 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？ (3/690) gnli 2010-05-11 2010-05-11 15:59:54 by gnli
[Gaussian] 【求助】中断 继续…… (0/346) 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 ) (16/830) 小鱼儿1703 2010-05-09 2010-05-11 12:02:14 by 小鱼儿1703
[量化新手 ] 【求助】投稿数据 (1/364) sunhaitao 2010-05-11 2010-05-11 11:17:31 by cxc521
[Gaussian] 【求助】溶剂化出现虚频 (2/564) 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 (2/485) kekexiliwolf 2010-05-10 2010-05-11 10:24:45 by yyx19840628
[Gaussian] 【讨论】第一超极化率 （first hyperpolarizability） (3/711) 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 (9/1397) xiguatailan 2010-04-01 2010-05-11 00:24:25 by xiguatailan
[量化新手 ] 【求助】license过期已经运算的任务会停吗? (1/499) wuy069 2010-05-10 2010-05-10 20:40:39 by springxa
[Gaussian] 【求助】Fukui函数的计算 (4/1209) 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 ) (14/1306) lixiaona158 2010-05-06 2010-05-10 17:39:29 by lihb734
[量化图形 ] 【讨论】GaussView 显示图形的问题 (1/515) majun04 2010-05-10 2010-05-10 16:54:57 by bylin
[Gaussian] 【求助】计算不收敛怎么办？ (4/1854) waterlily1715 2010-05-10 2010-05-10 15:08:00 by waterlily1715
[其他] 【求助】化学反应性对温度的依赖性请教 (7/1477) 0112358 2010-05-09 2010-05-10 14:00:05 by zhangmt
[Gaussian] 【求助】烷烃优化出现l202错误 (2/412) 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。 (1/491) ggdh 2010-04-28 2010-05-10 10:56:08 by xtdut
[量化新手 ] 【其他】看到一句话，感觉非常好    ( 1 2 ) (评阅+3) (17/1354) coolrainbow 2009-12-25 2010-05-10 10:01:05 by cxc521
[Gaussian] 【求助】如何用oniom方法做单点 (0/347) 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 (1/241) 小鱼儿1703 2010-05-09 2010-05-09 22:30:07 by 小鱼儿1703
[NBO/AIM] 【求助】如果对P character进行相关的分析 (1/365) lorna639 2010-05-08 2010-05-09 20:53:26 by lorna639
[Gaussian] 【求助】+1阳离子优化，出错信息看不懂啊，Leave Link 701 (6/1366) zlf412 2010-05-07 2010-05-09 19:29:11 by nanasj
[量化新手 ] 【求助】有关量子化学的几个小常识 (3/936) haode22 2010-05-09 2010-05-09 16:53:56 by coolrainbow
[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 (4/1370) hjsjs 2010-05-08 2010-05-09 16:30:42 by hjsjs
[ChemOff ] 【求助】chem3d中MOPAC有界面点击无反应怎么回事 (1/528) zhouxiaodi 2010-05-04 2010-05-09 14:51:48 by sunhaitao
[ADF/Dal ] 【求助】关于 ADF中的OCCUPATIONS (1/494) paopao1122 2010-05-04 2010-05-09 14:08:00 by wuy069
[Gaussian] 【求助】大家用gaussian算graphene吗 (4/475) 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 (1/283) 贾贾 2010-05-08 2010-05-09 13:34:37 by 贾贾
[其他] 【调查】量化研究领域 (0/182) luobenhua 2010-05-09 2010-05-09 12:28:03 by luobenhua
[Gaussian] 【求助】error：SCF is confused    ( 1 2 ) (14/1728) 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 ) (10/1525) 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？ (4/890) 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 (8/956) sunhaitao 2010-05-07 2010-05-08 23:02:31 by sunhaitao
[量化新手 ] 【求助】gaussion安装 (4/911) shinee 2010-03-17 2010-05-08 21:29:47 by dou448708915
[Gaussian] 【求助】关于优化 (9/1002) caozf 2010-05-04 2010-05-08 17:34:16 by 雪狼乖乖
[量化新手 ] 【求助】建立吡啶与银的chem3d模型 (1/324) dahuchang 2010-05-04 2010-05-08 16:30:09 by dahuchang
[其他] 【求助】求助MOLvib程序 (3/1028) ljx410504 2009-09-21 2010-05-08 16:23:04 by dahuchang
[Gaussian] 【求助】菜鸟求助！！！ (6/854) 学员UKbkc5 2010-04-25 2010-05-08 16:20:22 by xiaochi10
[Gaussian] 【求助】请教 (2/264) 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 (0/416) 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） (0/191) LuPeng5366 2010-05-08 2010-05-08 08:43:44 by LuPeng5366
[Gaussian] 【求助】基组输入 (4/719) dahuchang 2010-05-04 2010-05-07 23:53:42 by ZJboy
[量化新手 ] 【求助】群论中的“反映” (1/329) wst129 2010-05-05 2010-05-07 23:46:00 by ZJboy
[量化图形 ] 【求助】关于控制分子偶极距与晶轴夹角的操作问题 (0/302) ZCY2009 2010-05-07 2010-05-07 19:44:18 by ZCY2009
[Gaussian] [关贴]【求助】有限场法计算二阶超极化率，输出文件怎么看？ (7/987) minisun 2010-04-09 2010-05-07 13:32:50 by xtdut
[Gaussian] 【求助】population-weighted (1/287) wuming890 2010-05-07 2010-05-07 13:14:32 by lihb734
[ChemOff ] 【求助】关于计算结果的运用    ( 1 2 ) (11/2305) weiyun53 2010-05-05 2010-05-07 12:56:39 by weiyun53
[Gaussian] 【求助】BSSE-corrected binding 的问题 (0/248) 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 (4/655) spring965 2010-05-05 2010-05-07 09:26:35 by spring965
[Gaussian] 【求助】关于自旋多重度 (2/536) 569480531 2010-05-06 2010-05-07 08:36:16 by 569480531
[量化新手 ] 【求助】gauche effect (3/1072) liangyh 2010-04-26 2010-05-06 23:21:15 by liangyh
[Gaussian] 【求助】什么地方可以查到zpe scaling factor??? (1/579) 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) (18/1817) 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 (3/1200) qiwei505 2010-05-06 2010-05-06 17:19:13 by lihb734
[Gaussian] 【求助】请教一个基组的问题 (2/409) waterlily1715 2010-05-06 2010-05-06 17:16:05 by lihb734
[Gaussian] 【求助】盐怎么用gaussian算啊 (0/145) god110 2010-05-06 2010-05-06 16:14:07 by god110
[量化新手 ] 【求助】环状磷酸酯阻燃剂 (2/311) zxykycg2010 2010-05-04 2010-05-06 14:14:13 by zxykycg2010
[Gaussian] 【求助】20金币求助服务器问题    ( 1 2 ) (16/1529) cdmcc 2009-08-13 2010-05-06 13:53:00 by pwzhou
[其他] 【求助】激发态问题 (2/407) zzl7337 2010-05-06 2010-05-06 12:33:04 by mengfc
[Gaussian] 【求助】新手求助能量密度以及对称性问题 (4/470) 风干了 2010-04-28 2010-05-06 11:20:06 by 风干了
[其他] 【求助】气态石墨 (0/214) loose7892 2010-05-06 2010-05-06 10:04:15 by loose7892
[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 (3/751) niuwenyu86 2010-05-05 2010-05-06 09:40:49 by sheskybird
[量化新手 ] 【求助】请问gaussian优化金属螯合小分子的一般步骤？ (7/1235) letitgone 2010-04-27 2010-05-06 09:39:50 by sunhaitao
[Gaussian] 【求助】溶剂化计算写入错误 (5/667) sheskybird 2010-05-04 2010-05-06 09:23:29 by sheskybird
[Gaussian] 【求助】914错误 (5/644) 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 (2/407) luolun2008 2010-05-05 2010-05-06 08:50:04 by luolun2008
[其他] 【求助】想买服务器    ( 1 2 ) (11/1144) canoe8013 2010-05-03 2010-05-06 02:06:25 by sigmax
[Gaussian] 【求助】高斯编程错误 赝势 热化学 (5/884) 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。 (9/1979) loovfnd 2010-03-11 2010-05-06 00:02:30 by snoopyzhao
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