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[热点] 【博士招生】太原理工大学2026化工博士 N1ce_try 2026-03-01 刚刚
[Gaussian] [已完结]溶剂化计算错误求助 (0/832) vigaryang 2012-07-13 2012-07-13 13:59:08 by vigaryang
[Gaussian] G2或CBS-Q计算生成热求教。。。。    ( 1 2 ) (16/1739) 111222000 2012-07-09 2012-07-13 10:10:14 by 111222000
[Gaussian] [已完结]直接动力学软件？ (2/780) astringent 2012-07-10 2012-07-12 16:41:48 by yflchx
[Gaussian] [已完结]如何用高斯模拟光电子谱PES (3/1483) manny 2012-07-10 2012-07-12 13:50:55 by nwwolfchj
[Gaussian] [已完结]晶体数据库找到的分子晶体结构怎么转化成高斯输入文件呢 (8/1712) xyz7819227 2012-07-08 2012-07-12 13:19:41 by zhangji3013
[Gaussian] 关于高斯输入文件的疑问？、 (4/660) 111222000 2012-07-11 2012-07-12 10:52:34 by 111222000
[Gaussian] [已完结]这种形式的坐标该怎么得到？    ( 1 2 ) (10/1771) nedved33 2012-07-09 2012-07-12 10:01:38 by weiyin1977
[Gaussian] [已完结][关贴]氢转移的过渡态键老是连起来    ( 1 2 ) (11/1491) ldzh0531 2012-07-05 2012-07-11 20:08:53 by wangth0921
[Gaussian] [已完结]HF找到合适的过渡态，但是用MP2却找不到了？？？ (4/1092) lingao 2012-07-10 2012-07-11 16:29:09 by lingao
[Gaussian] [已完结]有没有一个数据库含有机膦类萃取剂的键长电荷密度等的实验值 (0/250) meimeihappy 2012-07-11 2012-07-11 11:22:05 by meimeihappy
[Gaussian] 关于单点能计算的问题请教    ( 1 2 ) (11/1215) 111222000 2012-07-09 2012-07-11 09:14:30 by 111222000
[Gaussian] [已完结]从Chk到 fchk文件转换的命令行 (5/3651) 婷婷-啦啦 2012-07-08 2012-07-10 17:07:26 by dewpoint
[Gaussian] [已完结]用Gaussian03或09，MP2(full)/aug-cc-pvdz如何优化HI？ (8/1794) 1maomao 2012-07-08 2012-07-10 14:55:02 by nwwolfchj
[Gaussian] 吐槽下，找了N久的过渡态，死活找不到    ( 1 2 ) (10/1006) xiaowandouer 2012-07-05 2012-07-10 10:47:52 by xiaowandouer
[Gaussian] 【求助】特定原子设定电荷 (9/2146) winter617 2010-12-10 2012-07-10 06:14:10 by lywiailyw
[Gaussian] G09计算拉曼光谱出错 (7/1327) yongqzhou 2011-07-22 2012-07-10 04:21:07 by qchem
[Gaussian] [已完结]做irc后计算反应物、产物、过渡态能量时，是否要加opt命令？ (2/746) aywater 2012-07-05 2012-07-09 20:39:07 by aywater
[Gaussian] [已完结]找过渡态遇到问题 (2/905) nedved33 2012-07-06 2012-07-09 15:29:20 by nedved33
[Gaussian] [已完结]怎么用GaussSum画态密度图？gaussian的log文件能用GaussSum打开来画DOS图吗？ (8/2642) beipiao616 2012-07-06 2012-07-09 15:18:47 by qwertybobo
[Gaussian] [已完结]gaussian 09 含Yb化合物优化出错 WANTED AN INTEGER AS INPUT (2/1607) lren 2012-07-02 2012-07-09 14:56:12 by nwwolfchj
[Gaussian] [已完结][关贴]求助 混合基组问题 很有趣 大家来看下 (6/1297) daixing2011 2012-07-06 2012-07-09 14:06:58 by daixing2011
[Gaussian] 【求助】消除虚频问题 (8/2228) 风干了 2010-05-17 2012-07-09 07:20:37 by woxiangfei
[Gaussian] [已完结]B3LYP的虚频问题？急！！！ (5/1320) guanjiwen 2011-05-22 2012-07-09 07:18:41 by woxiangfei
[Gaussian] [已完结]如何消虚频？！！！ 求指点！谢谢！    ( 1 2 ) (12/2454) 饭饭316 2011-11-08 2012-07-09 07:17:43 by woxiangfei
[Gaussian] [已完结]mulliken charge如何计算？    ( 1 2 ) (13/2592) hustzju 2012-06-14 2012-07-08 23:19:12 by spectmass
[Gaussian] 高斯计算体积的输出结果问题？ (8/1694) 111222000 2012-07-05 2012-07-08 21:36:59 by sobereva
[Gaussian] [已完结]Guassian和VASP计算过渡态的原理和算法上差别在哪里？ (9/3164) cenwanglai 2012-01-10 2012-07-08 18:24:00 by beefly
[Gaussian] gaussian运行所需软件环境 (4/902) kent1022 2012-07-07 2012-07-08 17:49:59 by kent1022
[Gaussian] g09linux与g03w计算效率对比    ( 1 2 ) (13/2497) quantumor 2012-07-03 2012-07-08 16:10:32 by woxiangfei
[Gaussian] [已完结]为什么chk转成fchk后小很多 (4/837) xmc212 2012-07-07 2012-07-08 11:30:05 by t13340033021
[Gaussian] [已完结][关贴]500BB求助帮忙消除结构的7个虚频（方法和点群不能变呀） (7/838) woxiangfei 2012-07-06 2012-07-07 16:58:42 by t13340033021
[Gaussian] [已完结]aug-cc-pvtz-pp (6/1867) xiehua 2012-05-13 2012-07-07 00:09:37 by lywiailyw
[Gaussian] [已完结]有坐标怎么看结构啊？    ( 1 2 3 ) (20/1549) hustzju 2012-07-06 2012-07-06 22:25:34 by Siriusgoul
[Gaussian] [已完结]CHK文件怎么会打不开？ (6/1283) 婷婷-啦啦 2012-07-06 2012-07-06 21:57:03 by lywiailyw
[Gaussian] [已完结]高斯算出来的结构如何画成椭球图啊 (3/919) t13340033021 2012-06-23 2012-07-06 14:33:42 by stevenabing
[Gaussian] [已完结][关贴]高斯错误 (5/715) ^隐形的翅膀^ 2012-07-04 2012-07-06 09:14:02 by ^隐形的翅膀^
[Gaussian] [已完结][关贴]gaussian09 linux安装问题 (5/2456) leospindrift 2012-03-10 2012-07-06 05:40:54 by jove1782
[Gaussian] [已完结]gaussian09 linux安装出错 (6/1405) leospindrift 2012-03-16 2012-07-06 05:38:04 by jove1782
[Gaussian] [已完结]关于irc restart的一个问题 (5/1764) kingleaves 2012-06-19 2012-07-05 13:53:24 by weiyin1977
[Gaussian] [已完结]在做结构优化时在计算频率阶段断了，该怎么接频率呀 (5/813) wuyoung 2012-07-04 2012-07-05 11:16:52 by xiaowandouer
[Gaussian] gaussian研究有机催化反应机理 (18/2828) happy111839 2011-11-09 2012-07-05 10:33:08 by 快乐至上7868
[Gaussian] [已完结]求做高斯题 (评阅-20) (9/675) fym11fym 2012-07-01 2012-07-04 07:32:39 by fym11fym
[Gaussian] [已完结]谁帮忙看看六氯苯和氢原子作用的输入文件 100金币 (7/1509) tangshi141 2012-07-01 2012-07-03 19:01:40 by zhaochuanfan
[Gaussian] [已完结]大侠，我用高斯对同一个结构进行优化，用高精度算没有虚频，为什么半经验AM1算有虚呀 (5/1626) woxiangfei 2012-07-01 2012-07-03 16:02:23 by t13340033021
[Gaussian] [已完结]使用Gaussian (1/611) aggie.chen 2012-07-02 2012-07-02 20:05:16 by wxl3862886
[Gaussian] [已完结]谁能解释一下oniom计算中分子坐标部分的意义 (1/324) chunhui201 2012-06-29 2012-07-02 18:42:48 by chunhui201
[Gaussian] 这个丙二腈水解过渡态构型对不对？（附图三张） (1/350) aywater 2012-06-23 2012-07-02 15:13:20 by willcy722
[Gaussian] [已完结]Gaussianview怎么会打不开啊 (3/1316) zhouzhiguang 2012-07-01 2012-07-02 13:15:22 by lishijunzong
[Gaussian] [已完结]如何计算配位键的键能？ (3/1986) nonesuch23 2012-06-21 2012-07-02 11:19:12 by gujing136
[Gaussian] [已完结]溶液中的相互作用能量 (1/505) vigaryang 2012-06-30 2012-07-02 10:24:32 by sduzhaoyyang
[Gaussian] [已完结]【求助】在计算单点能时scf=tight的作用，非加不可吗？ (6/1733) zky322003 2012-06-29 2012-07-02 09:46:29 by meteoric30
[Gaussian] [已完结]求casscf 就算实例 (3/697) lishijunzong 2012-06-29 2012-07-01 22:17:28 by gmy1990
[Gaussian] [已完结]求助关于双聚体BSSE的问题 (4/770) wuyoung 2012-06-29 2012-07-01 19:40:26 by paulingxu
[Gaussian] [已完结]singlet biradical character (1/538) hxzjt 2012-06-29 2012-07-01 17:14:03 by CKX
[Gaussian] [已完结][关贴]高斯高手请进来 (1/554) 学员jDhte6 2012-06-29 2012-06-30 19:42:58 by 不喜欢豆芽
[Gaussian] [已完结]请问大家对配位点的理解 (7/1266) lishijunzong 2012-06-28 2012-06-30 18:09:29 by lishijunzong
[Gaussian] CAS交叉点计算中总是出现L9999错误 (4/683) 左手疗伤 2012-06-30 2012-06-30 13:25:25 by 左手疗伤
[Gaussian] [已完结]做Guassian配电脑，高手帮忙看一下OK否 ? ^-^    ( 1 2 ) (13/1512) vividwill 2012-06-26 2012-06-30 13:14:43 by vividwill
[Gaussian] [已完结]Guassian 国外购买，国内使用的可行性？ (2/468) vividwill 2012-06-29 2012-06-30 13:12:47 by vividwill
[Gaussian] [已完结]在溶剂中计算BSSE时 还需要把溶剂的关键词写上吗 (8/1194) sunjiani 2012-06-28 2012-06-30 11:20:55 by vigaryang
[Gaussian] [已完结]求教：高斯如何计算单重态（激发态）过渡态 (7/2392) wuhen116 2012-06-28 2012-06-30 10:30:40 by wuhen116
[Gaussian] [已完结]高斯菜鸟求助啊，来大神啊    ( 1 2 ) (10/1438) xyz7819227 2012-06-25 2012-06-29 21:41:53 by xyz7819227
[Gaussian] [已完结]急！急！急！高斯中做溶剂效应PCM得到的HF能量有没有考虑dispersion energy (4/1087) licaiqin 2012-03-10 2012-06-29 16:53:00 by dingjunxia
[Gaussian] 高斯版权购买 (15/3102) sculhf 2012-06-20 2012-06-28 20:59:47 by vividwill
[Gaussian] [已完结]fchk转化求助，急求！！！ (0/449) feiyang1210 2012-06-28 2012-06-28 12:58:54 by feiyang1210
[Gaussian] [已完结][关贴]怎么算过渡态 (0/851) 学员jDhte6 2012-06-28 2012-06-28 10:30:40 by zwnjust
[Gaussian] 关于限制开壳层计算的适用范围 (8/1558) gtolv8688 2011-05-15 2012-06-27 18:26:11 by huhuaiyu
[Gaussian] [已完结]请问谁有G03W下example文件夹中的所有gjf的示例啊，麻烦给我发一份啊 (2/548) 123just 2012-06-27 2012-06-27 15:46:02 by zhou2009
[Gaussian] 【求助】ionization potential 计算 (6/922) zxl102623 2010-12-24 2012-06-27 11:13:37 by qyyos
[Gaussian] [已完结]构型优化自动退出，求助 (2/718) feiyang1210 2012-06-26 2012-06-27 08:53:53 by feiyang1210
[Gaussian] [已完结]下面两个物种需不需要做bsse矫正？    ( 1 2 ) (19/1127) kaegi 2012-06-20 2012-06-27 08:45:04 by kaegi
[Gaussian] [已完结]g09 计算莫名停止 (2/843) sunmuer 2012-06-14 2012-06-27 08:08:02 by zdgclf
[Gaussian] 高斯计算的问题？？ (5/1307) 111222000 2012-04-29 2012-06-26 21:17:11 by 思雨G十年
[Gaussian] [已完结]关于angstrom的cube文件 (3/520) zsjan 2012-06-24 2012-06-26 00:50:16 by sobereva
[Gaussian] [已完结]高斯，DFT计算70个左右原子的化合物，电脑配置的要求 (6/2360) shishi722 2012-06-23 2012-06-25 21:17:57 by yulucky
[Gaussian] [已完结]寻找过渡态 (3/519) cindy816s 2012-06-21 2012-06-25 18:25:24 by 左手疗伤
[Gaussian] [已完结]gaussview数据如何导入origin？ (1/1670) 龙山狮崖 2012-06-23 2012-06-25 15:59:39 by 小樊子
[Gaussian] [已完结]Gaussian 09 计算出来的chk文件无法转化成fchk文件，求高手指教！ (9/3245) wuhen116 2012-06-21 2012-06-25 09:53:28 by wuhen116
[Gaussian] [已完结]高斯计算有序品 (4/576) 小樊子 2012-06-20 2012-06-24 12:31:10 by 左手疗伤
[Gaussian] [已完结][关贴]重装系统后gaussian view打不开 (0/781) oneil 2012-06-23 2012-06-23 20:51:32 by oneil
[Gaussian] [已完结]計算激發態的方法 (2/365) superAchung 2012-06-21 2012-06-23 16:37:40 by yumu0411
[Gaussian] HNU暑期计算化学强化训练    ( 1 2 3 4 ) (评阅+5) (39/3106) ZDBWHZ 2011-06-20 2012-06-23 08:37:53 by ZDBWHZ
[Gaussian] [已完结]麻烦各位高手看一下这个输入文件的错误之处 (3/640) ^隐形的翅膀^ 2012-06-21 2012-06-22 23:13:45 by 求学之子
[Gaussian] [已完结]如果对空原子（加入对应氧原子的弥散SP轨道），请问大家具体的系数是什么。 (0/459) 行云流水cs 2012-06-21 2012-06-22 13:18:35 by 行云流水cs
[Gaussian] [已完结]关于苯并咪唑酸性环境中质子化结构的优化 (0/1104) shishi722 2012-06-22 2012-06-22 11:43:47 by shishi722
[Gaussian] [已完结]求助计算三重态的拉曼光谱！ (4/536) Captain-Jack 2012-06-20 2012-06-21 14:48:06 by 左手疗伤
[Gaussian] [已完结]求助大虾门帮忙优化个构型，小弟不胜感激 (0/270) 白衣踱江 2012-06-20 2012-06-20 17:32:08 by 白衣踱江
[Gaussian] [已完结]【求助】高斯中怎样做scan做二面角变化的能量曲线。 (2/967) 阿泰斯特 2012-06-16 2012-06-20 16:33:15 by 飘逸110
[Gaussian] [已完结]IRC 分往R/F方向跑 为什么结果文件中给出的初始结构不完全一致 (0/390) lixiaocat 2012-06-20 2012-06-20 15:04:37 by lixiaocat
[Gaussian] [已完结]Gaussian中NBO (0/1691) cjl1761 2012-06-12 2012-06-20 11:18:40 by cjl1761
[Gaussian] [已完结]采用Gaussian03程序计算对应于乙醛分子第一激发态 (0/262) crazy0o0 2012-06-17 2012-06-20 11:16:27 by crazy0o0
[Gaussian] [已完结]求助 高斯计算出错 (0/692) 忧伤的小猪 2012-06-19 2012-06-20 11:13:59 by 忧伤的小猪
[Gaussian] [已完结]请问我优化好结果后，C-C单键键长为1.64958，怎么在GView中显示不出它们的连接呀？ (6/1238) woxiangfei 2012-06-17 2012-06-20 10:36:40 by cjl1761
[Gaussian] [已完结]文件生成问题 (7/484) 119243775 2012-06-19 2012-06-20 00:06:41 by 119243775
[Gaussian] [已完结]氮氮单键和双键的键能值是多少？ (0/1962) liangyh 2012-06-19 2012-06-19 20:15:56 by liangyh
[Gaussian] [已完结]Gaussview 中如何显示偶极矩的方向 (2/5149) anna-80 2012-06-19 2012-06-19 16:05:41 by anna-80
[Gaussian] [已完结]高斯03 Pt采用LANL2TZ 基组 应怎样写输入文件 (3/2690) juty136 2012-06-19 2012-06-19 11:44:01 by juty136
[Gaussian] [已完结]激发态之间的跃迁偶极矩 (6/1296) superrice 2012-06-18 2012-06-19 11:05:36 by superrice
[Gaussian] 高斯频率输出分析的疑问？ (4/1054) 111222000 2012-06-18 2012-06-18 21:25:29 by 111222000
[Gaussian] 关于高斯输入文件的问题？？ (3/901) 111222000 2012-06-15 2012-06-18 17:21:37 by luojin7653
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