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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 2026-02-08 刚刚
[Gaussian] [已完结]C-S键优化问题 (0/487) xjyuefan 2011-10-24 2011-10-24 19:18:32 by xjyuefan
[Gaussian] [已完结]高斯激发态输出图像 (1/269) 医无止境 2011-10-24 2011-10-24 17:03:36 by 医无止境
[Gaussian] [已完结]计算相互作用能出错！！l401.exe 错误 (0/498) hou_j_h 2011-10-24 2011-10-24 15:17:50 by hou_j_h
[Gaussian] [已完结]G03 opt 出错 (4/545) 461018249 2011-10-20 2011-10-24 14:22:55 by 461018249
[Gaussian] [已完结]G03 LOG文件出现？ (0/181) 461018249 2011-10-24 2011-10-24 10:52:17 by 461018249
[Gaussian] [已完结]优化完，算BSSE时候出现502错误，怎么回事 (4/692) wynli 2011-10-20 2011-10-24 10:10:50 by wynli
[Gaussian] [已完结]求分子O-H解离焓? (2/1197) zenghua63 2011-06-21 2011-10-24 08:51:58 by zenghua63
[Gaussian] 求助一个gaussian问题 (2/345) zzazz 2011-10-22 2011-10-24 08:40:19 by 惜汕
[Gaussian] [已完结]高斯优化Cu2(php)2(H2O)2(ClO4)](ClO4)(H2O)出错 (1/324) zch_86918 2011-10-19 2011-10-24 00:18:15 by tacchem
[Gaussian] 【求助】gaussian运行出错 (5/1357) lyy880530 2010-10-16 2011-10-23 23:51:23 by lenienter
[Gaussian] [已完结]安装g03出错 (3/1131) xiaojun2010 2011-10-22 2011-10-23 14:55:02 by xiaojun2010
[Gaussian] [已完结]研究溶剂效应出现虚频问题，请教各位大虾指点 (9/1488) 饭饭316 2011-10-07 2011-10-23 13:18:30 by 饭饭316
[Gaussian] [已完结]计算电离势出错，请高手帮忙解决一下 (4/809) cug_zhang 2011-10-19 2011-10-23 07:21:06 by wangth0921
[Gaussian] CCSD（T）算能量需要的最低配置 (2/423) cxc521 2011-10-22 2011-10-22 22:33:33 by hairan
[Gaussian] [已完结]各位大侠请问在GaussianView中如何选取部分原子 (2/4391) woxiangfei 2011-10-21 2011-10-22 16:58:24 by liuzhengjun0427
[Gaussian] [已完结]寻找过渡态有两个比较大的虚频 (1/348) chemistryxrw 2011-10-08 2011-10-21 19:41:59 by 一起来化学
[Gaussian] [已完结]在centos5.4下运行高斯到 l301 就不给往下做，怎么回事？ (3/860) vallen 2011-10-20 2011-10-21 16:51:59 by vallen
[Gaussian] [已完结]稀土配合物计算 (1/690) liuyanzhu_79 2011-10-21 2011-10-21 13:49:29 by abbott
[Gaussian] [已完结]GaussView5.0打开文件出错 (1/493) liuyusuc 2011-10-20 2011-10-21 09:54:24 by jiewei
[Gaussian] [已完结]含稀土元素Dy的化合物要用什么基组进行优化 (1/385) liuyanzhu_79 2011-10-20 2011-10-21 09:15:05 by manson1998
[Gaussian] [已完结]用Molekel作静电势能图时，为什么有的文件可以打开，有的不能打开？ (0/280) 604758762 2011-10-20 2011-10-20 16:37:01 by 604758762
[Gaussian] [已完结][关贴]如何用GaussView画静电势能图 (1/2344) 604758762 2011-10-20 2011-10-20 16:32:52 by 461018249
[Gaussian] 【讨论】Gaussian03 基态为开壳层的TDDFT 激发态计疑问？ (2/1345) nwwolfchj 2010-11-17 2011-10-20 11:08:42 by kent1022
[Gaussian] [已完结]用CentOS系统计算高斯怎么这么慢？ (4/1046) voleyes 2011-10-17 2011-10-20 10:44:52 by abbott
[Gaussian] 二级微扰能 (1/922) 568268771 2011-10-17 2011-10-20 09:20:15 by chaowen1314
[Gaussian] 【求助】ONIOM的一个细节问题 (1/397) sunzhiguo 2010-12-02 2011-10-20 08:37:14 by ntrip
[Gaussian] [已完结]oniom--amber输入文件中电荷 (1/793) astringent 2011-10-17 2011-10-20 08:29:57 by ntrip
[Gaussian] [已完结]急！要断电了！如何中断gauss，然后接着计算 (2/1451) Illusionist 2011-10-19 2011-10-19 20:32:45 by cug_zhang
[Gaussian] 【求助】寻找SN2过渡态中遇到的一些问题 (6/1954) 20928140 2010-11-26 2011-10-19 18:37:48 by scottfreedom
[Gaussian] [已完结]请教我算opt 怎么算都是错 请大家看我输入文件哪儿错了呢    ( 1 2 ) (10/1205) wynli 2011-10-17 2011-10-19 16:37:08 by 我是丫头
[Gaussian] 请问哪位大侠用G03计算过碳纳米管。请回帖请教几个问题~ (1/337) listarstar 2011-10-19 2011-10-19 15:28:46 by zhou2009
[Gaussian] 焓变结果 (0/390) 568268771 2011-10-18 2011-10-19 15:27:08 by 568268771
[Gaussian] [已完结]GGA关键字 (0/223) lyy880530 2011-10-19 2011-10-19 15:24:29 by lyy880530
[Gaussian] [已完结]GAUSSIAN怎么计算overlap matrix？    ( 1 2 3 4 ) (31/2322) 贺仪 2011-10-17 2011-10-19 14:44:44 by 贺仪
[Gaussian] [已完结]被审稿人问到全局优化 (3/763) shenhaige 2011-10-18 2011-10-19 14:33:31 by springxa
[Gaussian] GView5.08 CConnectionGFCHK:: 错误 (4/2677) xiaozufeng 2011-10-19 2011-10-19 13:46:00 by xiaozufeng
[Gaussian] [已完结]服务器用塔式的好，还是机架式的好？ (6/1401) voleyes 2011-10-14 2011-10-19 13:22:46 by swingswing
[Gaussian] [已完结]gaussian如何算开壳单重态 (1/663) lwei7336 2011-10-19 2011-10-19 10:35:00 by zmcommon
[Gaussian] 【求助】为什么相同的输入结构和计算方法在G03中可以运行，在G09就报错啊？    ( 1 2 ) (10/1611) wangrong6758 2010-06-24 2011-10-18 22:38:20 by xiaowandouer
[Gaussian] [已完结]为什么我两次二面角扫描的结果不同？ (6/1498) tianozhou 2011-10-17 2011-10-18 22:26:25 by tianozhou
[Gaussian] gaussian 固定构型计算 (6/832) zhufayan 2011-10-17 2011-10-18 21:19:11 by kent1022
[Gaussian] [已完结]求助关于过渡金属原子的密里根电荷分析问题 (3/1086) 紫色雅典娜 2011-10-17 2011-10-18 00:51:49 by beefly
[Gaussian] [已完结]求助 ：gaussian (1/343) gaozhiwei1975 2011-10-17 2011-10-17 23:38:41 by scottfreedom
[Gaussian] [已完结]请教：Guess03中SCan关键词的使用 (4/1071) cmtang8351 2011-06-12 2011-10-17 19:10:13 by emmaxue
[Gaussian] [已完结]我的输出文件中是不是出错了 (1/294) lplunanjing 2011-10-17 2011-10-17 16:56:46 by zln1987
[Gaussian] [已完结]IRC输入文件的编写 (2/1250) XYLF 2011-05-05 2011-10-17 16:10:35 by emmaxue
[Gaussian] [已完结]求量子计算部分翻译 (0/272) devsts 2011-10-17 2011-10-17 11:24:11 by devsts
[Gaussian] [已完结]运行gaussian时出错怎么回事啊 (0/170) xixi1007 2011-10-17 2011-10-17 09:13:24 by xixi1007
[Gaussian] [已完结]对于Redundant Coordinate Editor选项的疑问 (0/1162) scottfreedom 2011-10-15 2011-10-17 09:07:01 by scottfreedom
[Gaussian] [已完结]蛋白的正负电荷中心计算问题 (0/561) lihaohoney 2011-10-16 2011-10-17 09:03:46 by lihaohoney
[Gaussian] [已完结]请帮忙看一下输入文件该如何表示电荷的正负以及Gaussview如何画盐类化合物 (0/2984) lorna639 2011-10-16 2011-10-17 09:03:23 by lorna639
[Gaussian] [已完结]关于IRC的计算 (1/657) scottfreedom 2011-10-16 2011-10-17 00:16:55 by dreamyeye
[Gaussian] [已完结]急！急！急！高斯计算加溶剂化的问题！！！ (1/296) haiyanzou 2011-10-14 2011-10-16 13:11:20 by hlq3175
[Gaussian] 【求助】过渡态金属化合物优化问题？比如三氯化铁    ( 1 2 ) (12/1716) 马丁林 2010-06-22 2011-10-16 00:25:16 by beefly
[Gaussian] 【求助】有研究带有分子筛的反应的反应机理的吗？ (4/439) happy111839 2010-11-14 2011-10-15 23:22:37 by gebitingqin
[Gaussian] [已完结]#2070出错中断~~~求助 (2/403) zzti314 2011-10-15 2011-10-15 16:17:56 by abbott
[Gaussian] 有木有人10月22~23号去贵阳参加高斯培训的？求同伴 (2/379) muxiachuixue 2011-10-14 2011-10-15 10:57:25 by muxiachuixue
[Gaussian] [已完结]GaussView3.07版保存乙腈时出错！重装后还是出错。请求帮助解决办法。 (2/311) lanquan 2011-10-11 2011-10-15 10:42:23 by lanquan
[Gaussian] [已完结]Gauss03中是不是可以在X,Y,Z三个方向上同时加电场进行计算？ (1/520) cmtang8351 2011-10-14 2011-10-15 06:37:48 by epson009
[Gaussian] [已完结]求助：请问现在高斯计算的热点在哪呀，哪位大侠能告诉呀 (9/1665) woxiangfei 2011-10-09 2011-10-14 23:31:11 by woxiangfei
[Gaussian] 【求助】请教一个关于对称性破损的问题    ( 1 2 ) (17/2011) waterlily1715 2010-04-29 2011-10-14 21:40:13 by ZJboy
[Gaussian] [已完结]polyrate输入文件fu40中的vvalue是代表什么能量 (4/828) PBHU 2011-10-13 2011-10-14 21:33:55 by PBHU
[Gaussian] G09 windows下并行不如 Linux快 (评阅+2) (5/837) vallen 2011-10-12 2011-10-14 20:05:34 by 寒雨人生
[Gaussian] 有人用gaussian做过一维周期性结构的频率计算吗？ (3/888) sunyulong 2011-10-08 2011-10-14 20:05:13 by linyanglin
[Gaussian] [已完结]关于高斯计算用的服务器内存的选择 (4/1459) voleyes 2011-10-14 2011-10-14 12:52:19 by springxa
[Gaussian] [已完结]关于计算电离能的一点疑问 (2/814) cug_zhang 2011-10-13 2011-10-14 08:42:29 by wangth0921
[Gaussian] [已完结]高斯优化，为啥不收敛？ (3/867) emmaxue 2011-10-12 2011-10-14 08:28:18 by manson1998
[Gaussian] OINOM计算中amber力场 (0/370) astringent 2011-10-14 2011-10-14 06:57:14 by astringent
[Gaussian] [已完结]Density-of-states spectra（DOS）该怎么算？ (3/1420) A-303 2011-10-12 2011-10-13 23:47:19 by meteoric30
[Gaussian] Gaussian氢键如何构建 (0/788) fsh3175 2011-10-13 2011-10-13 23:09:26 by fsh3175
[Gaussian] [已完结]Gaussian几何优化后的键长不合理    ( 1 2 3 4 5 ) (41/3320) jianqin 2011-07-15 2011-10-13 14:24:54 by yzwyxnb
[Gaussian] [已完结]Cubegen 命令使用不对 (3/2091) 1a1a11a 2011-10-12 2011-10-13 09:14:51 by zhou2009
[Gaussian] [已完结]求助：gaussian算NBO时候，出现提示severer error message # 2070 (2/3408) wynli 2011-10-12 2011-10-13 08:39:49 by wynli
[Gaussian] [已完结]高斯计算，买服务器的疑问 (4/1192) vallen 2011-10-12 2011-10-12 22:53:08 by hairan
[Gaussian] [已完结]求高斯输出文件中得到各个键的力常数的easyinp和shrink程序 (1/573) abin007 2011-10-10 2011-10-12 16:24:15 by budgerigar
[Gaussian] [已完结]请求大家发给我一份g03e01-linux 64位的gaussian软件 (8/1370) budgerigar 2011-10-07 2011-10-12 16:18:11 by budgerigar
[Gaussian] [已完结]windows下高斯批处理batch第一个任务失败后怎么继续运行？ (1/548) vallen 2011-10-12 2011-10-12 11:13:23 by 冬天里的骄阳
[Gaussian] 【求助】急！溶剂化老出错，有关SCRF=read    ( 1 2 ) (10/1921) ppshanshanqiu 2010-03-25 2011-10-12 11:12:48 by mscic
[Gaussian] [已完结]高斯在双路服务器下并行需要装linda吗？ (5/861) vallen 2011-10-10 2011-10-12 08:58:01 by yqzhang6518
[Gaussian] [已完结]Gaussian中的半经验方法和MM方法 (2/1838) helitrope 2011-09-25 2011-10-11 21:30:51 by beefly
[Gaussian] [已完结]高斯中有关亲水疏水结合能问题 (0/655) xiaowuxian 2011-10-11 2011-10-11 16:27:30 by xiaowuxian
[Gaussian] [已完结]想问下GUASSIAN里cpcm，sci-pcm，ipcm模型之间的差别 (0/1580) 饭饭316 2011-10-11 2011-10-11 16:19:50 by 饭饭316
[Gaussian] [已完结]Gview画结构输入Gaussian进行结构优化怎么结构没有明显的变化？ (3/1335) sprinaiv 2011-09-28 2011-10-11 15:27:06 by sprinaiv
[Gaussian] 【转载】原来windows版本的gaussian也有并行版了 (1/407) tiechong 2010-07-21 2011-10-11 11:22:11 by xwy1027
[Gaussian] [已完结]求助crcl2和crcl3自旋多重度问题 (1/988) sdu_x 2011-10-10 2011-10-11 00:32:17 by beefly
[Gaussian] [已完结]求救 啊 (0/176) 熊猫宝贝 2011-10-10 2011-10-10 20:58:10 by 熊猫宝贝
[Gaussian] [已完结]计算复合物能量高于两个单体能量之和怎么办？ (3/551) seastar858 2011-10-08 2011-10-10 17:09:53 by wangth0921
[Gaussian] [已完结]一个弱弱的关于gaussian的问题 (0/317) cucina_hu 2011-10-10 2011-10-10 17:03:26 by cucina_hu
[Gaussian] [已完结]反应平衡常数 与 反应速率常数 (5/2018) biaoxuetj 2011-10-07 2011-10-10 15:32:21 by biaoxuetj
[Gaussian] [已完结][关贴]文献 (0/192) 李倩1986 2011-10-10 2011-10-10 11:17:01 by 李倩1986
[Gaussian] [已完结]阴阳离子间是不是还存在着O-H氢键，请问怎么用Gaussian能看出来 (4/1200) 人生如曲 2011-10-06 2011-10-10 09:23:18 by qianyang
[Gaussian] [已完结]紧急求助!!! (1/357) yuanwei0007 2011-10-09 2011-10-09 21:38:07 by 小红豆
[Gaussian] HOMO-LUMO告诉我们什么 (7/1275) sunzhiguo 2011-10-08 2011-10-09 13:55:12 by sunzhiguo
[Gaussian] 相互作用：焓变、熵变等值 (0/476) 568268771 2011-10-09 2011-10-09 12:43:49 by 568268771
[Gaussian] [已完结]新手求助 (6/561) geniusew 2011-10-06 2011-10-09 11:51:46 by MVP41
[Gaussian] [已完结]在计算超极化率时，要不要加nosymm? (1/299) A-303 2011-10-09 2011-10-09 11:03:53 by yongleli
[Gaussian] [已完结]好困惑，求帮忙！！！ (0/200) haiyanzou 2011-10-09 2011-10-09 10:47:04 by haiyanzou
[Gaussian] [已完结]求教组建小型cluster的硬件配置 (3/515) vallen 2011-10-08 2011-10-09 09:46:14 by abbott
[Gaussian] [已完结]HF能量a.u.与电子伏特eV的换算关系 (7/9516) fegnzaixie 2011-08-15 2011-10-08 22:16:25 by chemstar
[Gaussian] [已完结]Wibery指数如何计算 (0/331) wynli 2011-09-21 2011-10-08 20:19:38 by wynli
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