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[热点] CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优 雨念 2026-02-08 刚刚
[Gaussian] [已完结]G09的chk转fchk出错 (2/1028) handsome_yj 2011-11-07 2011-11-07 16:09:58 by abdoman
[Gaussian] [已完结]高斯计算出错 (0/626) lm214019 2011-11-07 2011-11-07 11:18:56 by lm214019
[Gaussian] [已完结]化合物成盐，如何构建？ (2/492) 女巫的小木屋 2011-09-16 2011-11-07 10:47:42 by 女巫的小木屋
[Gaussian] [已完结]linux下运行g03出现以下问题 (1/315) 幽田双净 2011-11-05 2011-11-07 10:03:06 by emmaxue
[Gaussian] Gaussian究竟最多可以用几个核？ (6/2319) shengxiang 2011-10-30 2011-11-07 09:43:04 by shengxiang
[Gaussian] [已完结]求几篇关于不同方法电子相关能比较的文章 (0/222) cwdong8309 2011-11-06 2011-11-06 19:47:57 by cwdong8309
[Gaussian] [已完结]GAUSS03算热力学参数 (0/732) lstone03 2011-11-05 2011-11-06 19:18:08 by lstone03
[Gaussian] [已完结]Gaussian中的笛卡尔收敛 (0/140) cindylove 2011-11-06 2011-11-06 19:17:12 by cindylove
[Gaussian] [已完结]对称群的设置 (1/318) fengshiquan 2011-11-06 2011-11-06 19:05:39 by wushidi
[Gaussian] [已完结]急求_激发态一个最基本的问题 (0/214) chuchu6816 2011-11-06 2011-11-06 16:11:07 by chuchu6816
[Gaussian] [已完结]高斯断电停止计算了，怎么继续计算？ (2/2477) serenahj 2011-10-31 2011-11-06 11:42:23 by emmaxue
[Gaussian] [已完结]Linux 命令求助 (5/913) 医无止境 2011-10-31 2011-11-06 08:37:26 by budgerigar
[Gaussian] [已完结]有关高斯中molecule specification中数据来源的问题，我是初学者，望大家多多指教 (0/687) keeny0220 2011-11-05 2011-11-05 22:49:17 by keeny0220
[Gaussian] [已完结]只出现一个虚频，虚频值为-1.0706，如何调节？ (1/636) wutongshun 2011-11-05 2011-11-05 16:16:56 by yangfan0818
[Gaussian] [已完结]哪一位大侠能给一份gaussian 03自带的练习。 (8/1596) 熊猫宝贝 2011-11-04 2011-11-05 14:57:43 by zhou2009
[Gaussian] [已完结]优化完，算freq的时候，出现502错误    ( 1 2 ) (11/1246) wynli 2011-10-25 2011-11-05 14:30:36 by beefly
[Gaussian] [已完结]两块金属在一定的压力下得模拟，好做吗？ (2/249) goshen 2011-10-30 2011-11-05 13:25:54 by goshen
[Gaussian] [已完结]求助如何生成formchk？    ( 1 2 ) (11/2468) tudoudigua 2011-11-04 2011-11-05 12:32:32 by tudoudigua
[Gaussian] [已完结][关贴]Guassian如何计算晶体 (1/808) bingmou 2011-11-05 2011-11-05 07:05:36 by bingmou
[Gaussian] [已完结]Gaussian新手求助 (2/372) lywiailyw 2011-09-26 2011-11-04 20:58:16 by 前世飞儿
[Gaussian] 【求助】freq文件中寻找熵 (2/440) zhangwc5020 2010-08-07 2011-11-04 20:04:33 by zhaojy008
[Gaussian] [已完结]溶剂化模型计算出现L110的错误，求高手指点 (1/260) Captain-Jack 2011-09-07 2011-11-04 19:59:06 by zhaojy008
[Gaussian] [已完结]求助！！！！ (0/135) sigma92286 2011-11-04 2011-11-04 17:42:11 by sigma92286
[Gaussian] [已完结][关贴]如何将Gaussian计算后的输出文件的类型.chk或.log改为*.mol2类型 (5/2100) 平常心-1 2011-11-04 2011-11-04 17:14:47 by 平常心-1
[Gaussian] [已完结][关贴]过渡态PCM算单点能和频率 l701出错 (2/485) ludeng8710 2011-11-04 2011-11-04 14:55:14 by ludeng8710
[Gaussian] [已完结]求助高斯计算特定温度压力下的能量 (2/1238) wewejimmy 2011-09-17 2011-11-04 11:44:27 by emmaxue
[Gaussian] [已完结][关贴]高斯如何计算不同温度下的热力学能量？（200-3000k） (1/482) emmaxue 2011-11-04 2011-11-04 11:36:51 by emmaxue
[Gaussian] [已完结]优化错误，求助    ( 1 2 3 4 ) (30/1230) wynli 2011-10-29 2011-11-04 11:36:46 by 飘逸110
[Gaussian] [已完结]自旋多重度 (1/235) beibeili 2011-11-04 2011-11-04 11:15:49 by beibeili
[Gaussian] [已完结]红外校正系数 (8/702) llwwwh 2011-10-21 2011-11-04 09:20:59 by llwwwh
[Gaussian] [已完结]急求各位大虾，请问这两种中间体有什么不同，谢谢了 (0/201) 六块石头 2011-11-03 2011-11-03 22:22:43 by 六块石头
[Gaussian] [已完结]求解，求真相 (1/169) x7511413 2011-11-03 2011-11-03 21:45:45 by gkf高
[Gaussian] [已完结][关贴]G09非正常中断 (1/343) ldzh0531 2011-11-02 2011-11-03 21:14:17 by ldzh0531
[Gaussian] [已完结]我做opt=modredundant势能面扫描的时候总是报103错，哪位帮帮我啊？ (9/2628) tianozhou 2011-10-31 2011-11-03 19:48:13 by tianozhou
[Gaussian] [已完结]无故终止 (2/274) 2011 2011-11-03 2011-11-03 16:22:59 by smzll1987
[Gaussian] [已完结]键角能量计算求助 (0/289) 锋线杀手 2011-11-03 2011-11-03 11:19:31 by 锋线杀手
[Gaussian] [已完结]vnc客户端交高斯计算作业 (0/272) vividlove 2011-11-03 2011-11-03 10:54:09 by vividlove
[Gaussian] [已完结]优化反应反应物出现虚频，求消除虚频 (2/433) luyating2005 2011-11-02 2011-11-03 08:10:50 by huosuhong
[Gaussian] [已完结][关贴]优化结束后的问题 (8/766) sunshinedan 2011-11-02 2011-11-03 08:05:37 by huosuhong
[Gaussian] [已完结]四苯基卟啉锰 计算老是出错 算一两个小时就停了 (1/346) 张伟杰 2011-11-02 2011-11-03 00:30:48 by beefly
[Gaussian] [已完结]我想把自己的电脑也变成做计算的，请问我要安哪个版本的LINUX合适？ (2/298) beyondjun 2011-11-02 2011-11-02 21:45:15 by zhaoyichem
[Gaussian] [已完结]用gauss计算石墨烯上分子吸附出现个错误，求帮忙看是个啥意思 (0/208) archvalkyrie 2011-11-02 2011-11-02 21:11:36 by archvalkyrie
[Gaussian] [已完结]用高斯计算NBO出错 (0/596) polaris2 2011-11-02 2011-11-02 16:44:50 by polaris2
[Gaussian] [已完结]TDDFT算吸收光谱f值大于多少算是有效的吸收？ (2/525) domilar 2011-11-01 2011-11-02 15:32:26 by domilar
[Gaussian] [已完结]孤对电子伸展方向与原子之间形成的二面角如何计算？ (2/662) syntheovo 2011-11-02 2011-11-02 14:54:13 by syntheovo
[Gaussian] [已完结]g03 D02 64位版本在linux下并行的问题 (2/370) sunmuer 2011-11-02 2011-11-02 13:36:36 by springxa
[Gaussian] [已完结]求使用gaussian计算氮分子转动激发转动常量及电四极矩？ (0/446) ilxmc 2011-11-02 2011-11-02 10:50:25 by ilxmc
[Gaussian] [已完结]请问利用Gaussian计算含频第一超极化率时怎么会有18个分量？ (1/462) lxj1000 2011-09-21 2011-11-02 10:37:25 by double3831
[Gaussian] [已完结]算counterpoise时候，最后怎么没出bsse能量呢 (0/209) wynli 2011-11-02 2011-11-02 10:19:48 by wynli
[Gaussian] [已完结]高斯计算单点能出错 (7/3215) 小小5号 2011-10-31 2011-11-01 20:47:45 by 小小5号
[Gaussian] [已完结]帮帮忙 氢气分子吸附在团簇上发生解离解离的原因？ (0/239) 长乐未央 2011-11-01 2011-11-01 16:45:04 by 长乐未央
[Gaussian] [已完结]求助，Gaussianccsd(t)单点算出错 (3/993) vivian612 2011-10-31 2011-11-01 15:09:13 by tudoudigua
[Gaussian] [已完结]高人求解：模拟化学反应过程 (3/585) 华丽丽19605 2011-10-26 2011-11-01 11:03:55 by manson1998
[Gaussian] [已完结]一个关于内坐标的问题 (9/1063) lywiailyw 2011-10-13 2011-11-01 00:02:08 by dreamyeye
[Gaussian] [已完结]HOMO LUMO 能级差 比较 (3/3326) liujodan 2011-10-30 2011-10-31 23:19:00 by liujodan
[Gaussian] [已完结]求助如何找到想要的几何？ (0/166) tudoudigua 2011-10-31 2011-10-31 19:59:46 by tudoudigua
[Gaussian] [已完结][关贴]自由基优化 (1/394) ldzh0531 2011-10-31 2011-10-31 14:09:26 by zhou2009
[Gaussian] [已完结]g09计算终止，没有错误信息 (5/1605) PBHU 2011-10-29 2011-10-31 09:19:13 by zhangdaishan
[Gaussian] [已完结]高斯09求助 (2/292) 源丽 2011-10-26 2011-10-31 09:15:15 by 源丽
[Gaussian] [已完结]高手指点这是什么错误 (3/561) PBHU 2011-10-30 2011-10-31 08:43:11 by PBHU
[Gaussian] [已完结]Gaussview 5.0 计算红外光谱时method中各项什么含义 (0/531) 小段同学 2011-10-30 2011-10-30 13:54:10 by 小段同学
[Gaussian] [已完结]请问我用高斯算的怎么能量怎么会是正值呀。 (0/481) woxiangfei 2011-10-30 2011-10-30 11:30:05 by woxiangfei
[Gaussian] [已完结]如何消虚频？！！！ (3/806) 饭饭316 2011-10-23 2011-10-29 22:31:28 by 饭饭316
[Gaussian] [已完结]怎么计算HOMO中电子转移的几率 (5/1278) voleyes 2011-10-27 2011-10-29 22:06:48 by voleyes
[Gaussian] [关贴]电子激发 (5/714) fengshiquan 2011-10-28 2011-10-29 18:46:44 by 书万里
[Gaussian] [已完结]要求计算的nstates 的数量增加了，怎么计算结果里还是没有增加哇？？？？ (3/667) beyondjun 2011-10-29 2011-10-29 18:08:18 by ggdh
[Gaussian] [已完结]哪位大侠知道高斯求IR？？？？    ( 1 2 ) (10/1348) gemma84 2011-10-19 2011-10-29 08:53:15 by 雪灵
[Gaussian] [已完结]哪位仁兄能给我提供一些说明b3lyp算bsse有问题的文献 (1/336) 雨晨田木 2011-10-13 2011-10-28 22:00:32 by 我是丫头
[Gaussian] [已完结]绝热电离能计算 (0/472) 幽田双净 2011-10-28 2011-10-28 17:20:18 by 幽田双净
[Gaussian] [已完结]Linux系统下用Gaussview读chk文件 (1/805) beipiao616 2011-09-28 2011-10-28 16:31:05 by xj544
[Gaussian] [已完结]高斯算体积，大家有没有什么捷径把体积提取出来？ (7/1796) invincibly 2011-05-24 2011-10-28 15:50:15 by invincibly
[Gaussian] [已完结]Gaussian中配位键的问题 (0/679) hollelry 2011-10-28 2011-10-28 12:21:37 by hollelry
[Gaussian] [已完结]怎样才能让guassview结果显示surface (6/943) chemstar 2011-10-26 2011-10-28 11:01:32 by chemstar
[Gaussian] [已完结]【求助】YPO4(tetragonal) 的晶胞参数 (2/268) jary2028 2011-10-28 2011-10-28 10:32:38 by jary2028
[Gaussian] [已完结]高斯linux计算，磁盘不够，该怎么处理？ (7/1706) emmaxue 2011-10-25 2011-10-28 09:25:09 by emmaxue
[Gaussian] l811exe问题，达人看见来 (3/799) xiaojun2010 2011-10-25 2011-10-27 23:35:21 by xiaojun2010
[Gaussian] [已完结]【求助】YPO4(tetragonal) 的HOMO,LUMO及相应的vacuum energy (0/159) jary2028 2011-10-27 2011-10-27 22:03:17 by jary2028
[Gaussian] [已完结]能量分解 (8/2493) 不喜欢豆芽 2011-10-15 2011-10-27 21:31:47 by 不喜欢豆芽
[Gaussian] [已完结]求助，gaussian计算Warning！ (2/277) rulongxu 2011-10-24 2011-10-27 21:29:12 by rulongxu
[Gaussian] [已完结]在LINUX下同时安装G03和G09出现问题 (2/949) handsome_yj 2011-10-26 2011-10-27 21:23:09 by samtyty
[Gaussian] [已完结]gaussian过渡态的问题 (3/1197) a719053855 2011-10-11 2011-10-27 19:14:19 by bobodream
[Gaussian] [已完结]高斯能量与分子力学能量 (0/534) liuyusuc 2011-10-27 2011-10-27 18:47:49 by liuyusuc
[Gaussian] [已完结]请教，关于scrf中的dielectric=val (1/662) 雪狼790 2011-10-27 2011-10-27 12:14:50 by 雪狼790
[Gaussian] [已完结]优化后Guassian View中的results选项optimization为什么不能点？ (2/1372) 科研小菜 2011-10-26 2011-10-27 10:02:56 by 科研小菜
[Gaussian] [已完结]氯离子计算问题 (0/619) wenxianliu 2011-10-27 2011-10-27 09:54:35 by wenxianliu
[Gaussian] [已完结]如何计算能级及画出能级分布图 (2/1541) cug_zhang 2011-10-26 2011-10-27 08:37:12 by cug_zhang
[Gaussian] [已完结]审稿人对我只用B3LYP有意见    ( 1 2 ) (18/3156) hee_csu 2011-10-23 2011-10-26 23:35:30 by yongleli
[Gaussian] [已完结]linux系统求推荐    ( 1 2 3 ) (21/1743) chemstar 2011-10-15 2011-10-26 19:43:22 by love5264
[Gaussian] [已完结]高斯主要作用是什么，对有机反应有什么样的帮助呢 (6/991) 果果徐 2011-10-20 2011-10-26 16:51:12 by 鱼妃
[Gaussian] [已完结]gaussian 总出错，麻烦帮忙看一下~ (2/445) totoymy 2011-10-26 2011-10-26 11:25:10 by gazelle0214
[Gaussian] [已完结]GaussVIew加氢 (4/1512) liuyusuc 2011-10-21 2011-10-25 18:46:24 by liuyusuc
[Gaussian] [已完结]scan扫描完成的能量输出问题+激发态怎样设置 (2/675) kent1022 2011-10-20 2011-10-25 14:29:17 by 飘逸110
[Gaussian] [已完结]晶体 气相 液相的问题 (4/1005) slay3 2011-10-24 2011-10-25 12:58:04 by zhou2009
[Gaussian] [已完结]用Gaussview建模得Gaussian输入文件时的常量和变量问题 (0/395) zcntydyd 2011-10-25 2011-10-25 12:09:23 by zcntydyd
[Gaussian] [已完结]寻找过渡态出错    ( 1 2 ) (10/1384) happy111839 2011-10-08 2011-10-25 11:17:28 by yxj1986111
[Gaussian] [已完结]Gaussian 运算出错 (1/250) shontao 2011-10-25 2011-10-25 10:55:38 by scottfreedom
[Gaussian] [已完结]计算CASSCF波函数的基组问题 (0/393) lyy880530 2011-10-25 2011-10-25 10:25:23 by lyy880530
[Gaussian] [已完结]qst3找过渡态和设想结果一样但是没有虚频 (9/1599) PBHU 2011-10-24 2011-10-25 09:29:42 by scottfreedom
[Gaussian] [已完结]Gaussian 09在debian testing下面直接段错误 (0/682) bingmou 2011-10-25 2011-10-25 04:54:47 by bingmou
[Gaussian] [已完结]906错误    ( 1 2 ) (10/707) rock0927 2011-09-02 2011-10-24 22:43:38 by 461018249
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