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[热点] 材料科学与工程考研 拯救皮特托先生 2026-04-03 刚刚
[Gaussian] [已完结]IRC的困惑 (2/418) aimonkey 2012-05-09 2012-05-10 08:39:31 by aimonkey
[Gaussian] [已完结]如何计算resp，esp，chelpg电荷 (2/3890) astringent 2012-02-02 2012-05-10 07:53:49 by fwenling0506
[Gaussian] [已完结]如何判断分子多重电离时被电离掉的电子属于那一个原子 (2/426) zhouman2012 2012-05-09 2012-05-10 02:06:41 by mchen10
[Gaussian] [已完结]激发态的振子强度太小 (4/1428) ikea1984 2012-05-09 2012-05-09 21:53:26 by gmy1990
[Gaussian] [已完结]chk文件打不开 (2/644) alexander8108 2012-05-05 2012-05-09 21:52:06 by gujing136
[Gaussian] [已完结]计算结果死在了l101这个地方，但是我的命令行没有错误呀，求指教！    ( 1 2 ) (13/1401) Captain-Jack 2012-04-06 2012-05-09 20:56:42 by gujing136
[Gaussian] [已完结]linux高斯安装求助 (0/449) shenfenghua 2012-05-09 2012-05-09 20:05:29 by shenfenghua
[Gaussian] [已完结]激发态选取 (6/943) zml2009 2012-05-08 2012-05-09 16:33:28 by 醒目苹果倪1707
[Gaussian] [已完结]过渡态的自选多重度 (4/1542) amytaotao 2012-05-07 2012-05-09 16:02:35 by 2010000174
[Gaussian] [已完结]如何从输出文件中读取第一激发能 (3/657) flying_lw 2012-04-19 2012-05-09 15:16:13 by flying_lw
[Gaussian] 【求助】向各位高手请教一个奇怪的问题    ( 1 2 3 ) (25/1901) yjcmwgk 2010-06-23 2012-05-09 14:03:55 by wangati
[Gaussian] [已完结]求教大侠几个问题。 (2/482) 六块石头 2011-06-12 2012-05-09 10:27:21 by 六块石头
[Gaussian] [已完结]Mulliken charge 计算后感觉不对。 (9/2807) kathy2008 2012-05-07 2012-05-09 10:04:59 by kathy2008
[Gaussian] gaussian--哪里可以查gaussian计算中频率校正因子？ (5/2033) zhufayan 2011-07-15 2012-05-09 09:47:16 by richyardzi
[Gaussian] [已完结]求金属Au的Lanl2tzp的基组表示 (5/1385) hu.yanfei 2011-09-16 2012-05-09 07:29:14 by wynli
[Gaussian] [已完结]求助：有没有人算过荧光量子产率 (5/1069) dream1021 2012-05-06 2012-05-08 19:36:55 by jinpengfei
[Gaussian] 优化聚合物结构时，是摆成环形还是应该摆成直线形 (5/1121) 雨晨田木 2012-05-07 2012-05-08 17:37:49 by zhou2009
[Gaussian] [已完结]QST2过渡态 Link 9999出错 更改maxcyc无效 (2/632) tangshi141 2012-05-06 2012-05-08 12:17:08 by tangshi141
[Gaussian] [已完结]请问高斯可以计算电子热容、晶格热容、电子热导率吗？ (1/339) yizhimantou 2012-05-07 2012-05-08 10:32:10 by yizhimantou
[Gaussian] [已完结]DOS图 (4/1188) 幽田双净 2012-05-07 2012-05-07 20:04:48 by gmy1990
[Gaussian] 计算断键？？    ( 1 2 ) (12/1400) 111222000 2012-05-05 2012-05-07 15:45:23 by 111222000
[Gaussian] [已完结]NBO分析后如何用gaussview显示图形 (7/3361) 小白如水 2011-07-16 2012-05-07 12:36:03 by lusicooli
[Gaussian] [已完结]求HOMO,LUMO值 (1/620) aggie.chen 2012-05-07 2012-05-07 09:28:38 by liqianjun
[Gaussian] [已完结][关贴]用TS寻找过渡态出错，求指点如何修改输入文件 (0/436) yaoqian0503 2012-05-07 2012-05-07 09:12:43 by yaoqian0503
[Gaussian] 【求助】怎样用gaussian对晶体进行优化！ (14/1579) gmy1990 2011-03-09 2012-05-06 16:37:23 by gmy1990
[Gaussian] [已完结]Gaussian运行途中一动不动 (4/1314) nedved33 2012-05-05 2012-05-06 12:15:53 by lishijunzong
[Gaussian] [已完结]高斯的能量选哪个 (7/1972) nedved33 2012-05-04 2012-05-05 23:21:01 by richyardzi
[Gaussian] [已完结]自旋多重度，rhf 和 uhf方法？ (3/2557) condorhero 2012-05-04 2012-05-05 23:18:04 by richyardzi
[Gaussian] [已完结]TD计算求助 (4/529) yangzhaodi1978 2012-05-04 2012-05-05 00:54:15 by beefly
[Gaussian] [已完结]无过渡态的构型变化如何计算反应速率 (7/1226) ldzh0531 2012-04-26 2012-05-04 22:07:53 by ldzh0531
[Gaussian] [已完结]IRC出错，谢谢帮助 (6/1021) shuangliu 2012-05-03 2012-05-04 15:36:34 by 书万里
[Gaussian] [已完结]断键分析    ( 1 2 ) (11/1420) lei234 2012-05-02 2012-05-03 23:37:08 by dreamyeye
[Gaussian] [已完结]32位XP系统rwf文件存放问题 (2/371) yaoqian0503 2012-05-03 2012-05-03 21:18:25 by wntc
[Gaussian] [已完结]gaussian计算中出现虚频 (4/3698) nedved33 2012-05-02 2012-05-03 12:07:18 by lishijunzong
[Gaussian] Gaussian计算得到的前线分子轨道图能说明什么？ (QC强帖+1)(7/7073) proton00 2012-02-13 2012-05-03 11:29:38 by 鱼妃
[Gaussian] [已完结]Gaussian优化结构log文件Frequency第一项总是虚频 (1/787) whokey 2012-05-03 2012-05-03 11:07:12 by lingznpmg
[Gaussian] 关于高斯计算内存不足的问题？ (4/2320) 111222000 2012-05-02 2012-05-03 09:58:34 by manson1998
[Gaussian] [已完结]求助扫二维势能面的input file~！急~！ (1/470) fd_wonder 2012-04-29 2012-05-02 23:32:50 by ldzh0531
[Gaussian] [已完结]Stable=Opt和Opt的区别在哪？ (3/2082) taoyunwen 2012-04-29 2012-05-02 23:28:31 by ldzh0531
[Gaussian] gaussian 03和gaussian 09 优化分子的区别 (5/2223) 568268771 2011-12-20 2012-05-02 20:31:04 by ldzh0531
[Gaussian] [已完结]Gaussian09计算吸收谱及荧光谱 (2/840) DHY19860208 2012-04-27 2012-05-02 16:53:59 by nwwolfchj
[Gaussian] [已完结]机子运行太慢，谁能帮我算算啊，感激不尽 (4/748) 8770032 2012-05-01 2012-05-02 15:57:10 by woxiangfei
[Gaussian] [已完结]请问势能面反应前一步放热能否用于越过接下来的能垒 (7/1688) dingniu2 2012-04-30 2012-05-02 12:15:35 by purplez
[Gaussian] [已完结]怎样优化激发态构型？ (2/592) helitrope 2012-04-30 2012-04-30 14:53:34 by helitrope
[Gaussian] [已完结]关于gview剪贴板的一个怪现象！ (5/1615) liuzhengjun0427 2011-09-03 2012-04-30 14:39:07 by ccxcyh
[Gaussian] [已完结][关贴]gaussian基组选择 (5/2332) 至秦helen 2012-04-17 2012-04-30 13:52:03 by 左手疗伤
[Gaussian] [已完结]CO2分子轨道计算结果怎么不是对称的? (3/1492) mophyworld 2012-04-29 2012-04-30 09:08:30 by lishijunzong
[Gaussian] [已完结]高斯安装成功，运行提示出错。    ( 1 2 ) (10/2271) oldwolf2118 2012-04-26 2012-04-29 22:00:10 by luojin7653
[Gaussian] [已完结]过渡态qst3计算失败于l9999.exe，能用irc计算看看吗 (6/1333) 肖潇 2012-04-28 2012-04-29 19:43:30 by 肖潇
[Gaussian] [已完结]Gaussview作图出来的给Gaussian的input file的格式问题，小白求帮助~~ (6/1949) fd_wonder 2012-04-29 2012-04-29 10:50:36 by fd_wonder
[Gaussian] 高斯计算问题 (5/692) 111222000 2012-04-28 2012-04-29 08:09:56 by finesun
[Gaussian] [已完结]自由基和卡宾自旋多重度的设置 (9/2041) nedved33 2012-04-26 2012-04-29 00:12:34 by nedved33
[Gaussian] [已完结]请教CCSD(T)-F12输入文件怎么写 (4/2114) cxc521 2012-04-28 2012-04-28 22:36:34 by beefly
[Gaussian] [已完结]Co的计算问题！新手求助    ( 1 2 ) (10/1676) noiradoris 2012-04-28 2012-04-28 20:25:43 by noiradoris
[Gaussian] [已完结]NBO (0/597) lei234 2012-04-27 2012-04-28 18:16:28 by lei234
[Gaussian] [已完结]求教Gaussian用TDDFT计算单重态多重态的问题 (6/2007) 葬花公子 2012-04-13 2012-04-28 15:42:44 by zhangmt
[Gaussian] 郁闷死了 安装gaussian一窍不通 (3/932) lplunanjing 2012-04-26 2012-04-28 09:04:13 by liangaihua
[Gaussian] [已完结]gaussian中 轨道系数Molecular Orbital Coefficients，得到的轨道是否是归一化的？ (8/2557) 贺仪 2012-04-27 2012-04-28 08:44:27 by 贺仪
[Gaussian] [已完结]高斯03与高斯09 (2/919) knesy 2012-04-27 2012-04-27 23:27:31 by ldzh0531
[Gaussian] [已完结]如何根据excitation coefficient来计算它在波函数中占的百分比？ (0/277) 葬花公子 2012-04-26 2012-04-27 20:22:25 by 葬花公子
[Gaussian] [已完结]有机小分子计算问题 (1/552) leospindrift 2012-04-26 2012-04-27 20:15:43 by yumu0411
[Gaussian] [已完结]用ECP赝势计算金属离子 (4/1368) liyincumt 2012-04-27 2012-04-27 19:51:31 by beefly
[Gaussian] [已完结]高斯计算稀土复盐化合物的问题 (0/445) Adiland 2012-04-27 2012-04-27 09:47:57 by Adiland
[Gaussian] [已完结]HOMO、LUMO轨道原子占百分数的算法 (7/2033) meimeihappy 2012-04-24 2012-04-26 15:55:37 by meimeihappy
[Gaussian] [已完结]请问：做基态优化时，可以同时选择加溶剂和赝势的条件吗？ (1/294) renhe998 2012-04-26 2012-04-26 11:09:46 by gmy1990
[Gaussian] [已完结]怎么样通过简正坐标判断振动归属 (1/507) 549536348 2012-04-24 2012-04-26 10:10:44 by gmy1990
[Gaussian] [已完结]关于Se原子基组 (3/627) superrice 2012-04-26 2012-04-26 10:05:12 by gmy1990
[Gaussian] [已完结]关于紫外计算误差 (3/1565) Captain-Jack 2012-04-25 2012-04-26 08:55:10 by kekexiliwolf
[Gaussian] [已完结][关贴]新装redhat gaussian09 test错误求解 (0/327) leospindrift 2012-04-26 2012-04-26 08:35:12 by leospindrift
[Gaussian] [已完结]opt分子轨道图与td生成的分子轨道图不一样？？？？    ( 1 2 3 ) (20/2062) chemistryxrw 2011-05-07 2012-04-26 07:52:39 by 但个
[Gaussian] [已完结]Linux远程操作chk文件无法转换 (2/900) baihe869 2012-04-24 2012-04-25 18:39:44 by 冬天里的骄阳
[Gaussian] [已完结]求助gaussian频率计算中遇到的疑惑 (2/382) shuo2008 2012-04-25 2012-04-25 17:22:46 by 紫电
[Gaussian] [已完结][关贴]UBS (unrestricted broken symmetry) 输入文件 (0/277) zhangji3013 2012-04-23 2012-04-25 17:00:58 by zhangji3013
[Gaussian] [已完结][关贴]文件格式转换 (4/635) leospindrift 2012-04-25 2012-04-25 17:00:37 by jiewei
[Gaussian] [已完结][关贴]关于G09中的CASCF计算离子态的问题 (0/912) suosuosky 2012-04-24 2012-04-25 17:00:34 by suosuosky
[Gaussian] [已完结]高斯03，onsager模型只计算单点是不是与气象变化不大 (1/359) 雪比亚麻布 2012-04-25 2012-04-25 16:49:38 by yjcmwgk
[Gaussian] [已完结]scan文件中想要一个原子向另一个原子运动，怎么设置 (5/1150) wpgo 2012-04-16 2012-04-25 16:40:28 by 雪比亚麻布
[Gaussian] [已完结]高斯的关键字为什么出嫌两个PBE? (6/1415) huanghl2010 2012-04-24 2012-04-25 08:34:07 by huanghl2010
[Gaussian] [已完结]是否有好心人能做一个DA反应过渡态优化的教程？ (1/727) schalke 2012-04-23 2012-04-24 18:40:41 by schalke
[Gaussian] [已完结]求高手指点out文件中怎么读取a0值？（cavity radius）分子半径 (0/262) blueskyami 2012-04-23 2012-04-24 18:39:23 by blueskyami
[Gaussian] [已完结]Gaussian 溶剂化效应 优化不收敛，大家常用什么办法解决？ (7/3084) spring965 2011-06-25 2012-04-24 16:47:15 by spring965
[Gaussian] [已完结]高斯中的PCM和SMD有什么区别？ (6/5699) shc123456 2011-11-24 2012-04-24 13:25:53 by 醒目苹果倪1707
[Gaussian] [已完结]gausssum (3/514) 4010808 2012-04-10 2012-04-24 10:57:19 by javy
[Gaussian] [已完结]gaussian 09溶剂化荧光发射的例子第4步运行出错 (9/2714) cj4566 2012-04-08 2012-04-24 06:28:53 by cj4566
[Gaussian] [已完结]请教：我想比较下面两个环己烯化合物的能量差异，该怎么做？    ( 1 2 ) (13/1244) 中山李 2012-04-04 2012-04-24 00:34:19 by 中山李
[Gaussian] [已完结]用gaussview画出分子式之后,怎么计算标准摩尔生成焓?有金币送哦.. (4/2437) ymx077022 2012-04-18 2012-04-24 00:32:46 by tzl0619
[Gaussian] [已完结]溶剂中优化突然中断 (3/593) cj4566 2012-04-12 2012-04-23 14:37:42 by cj4566
[Gaussian] [关贴]计算阴性团簇VDE的意义及目的度有哪些？ (2/644) wangchenju 2011-10-13 2012-04-23 14:37:13 by wangchenju
[Gaussian] [已完结]求助求助！！！急！！！ (0/195) milanforza 2012-04-23 2012-04-23 14:24:35 by milanforza
[Gaussian] GaussViewer中分子轨道 (10/1649) zhurl123 2012-04-17 2012-04-23 12:28:03 by lishijunzong
[Gaussian] [已完结]Gaussian对分子构型优化加溶剂化与否对最后结果有影响吗？ (8/3238) swustxxl 2011-08-05 2012-04-23 08:44:12 by 醒目苹果倪1707
[Gaussian] [已完结][关贴]Gaussian09 计算 溶液中激发态的HOMO和LUMO，如何优化结构 (2/1081) Illusionist 2012-01-02 2012-04-23 04:29:33 by Illusionist
[Gaussian] 高斯软件关闭后重新计算的问题？？ (3/1258) jingetiema61 2012-04-22 2012-04-22 22:22:11 by ldzh0531
[Gaussian] [已完结]高斯计算不同温度下热力学函数的问题 (0/1355) Adiland 2012-04-22 2012-04-22 22:07:55 by Adiland
[Gaussian] [已完结]linux下G09计算出错，有神马解决办法？ (1/776) czyzsu 2012-04-21 2012-04-22 22:07:16 by 思雨G十年
[Gaussian] [已完结][关贴]计算激发态方法选择 (9/1038) superrice 2012-04-18 2012-04-22 20:45:21 by superrice
[Gaussian] 【求助】极化出现L1002错误 (7/990) sunxiuxin 2010-10-22 2012-04-22 12:16:56 by 4010808
[Gaussian] [已完结][关贴]紧急求助—在水溶液中计算单点能 (4/1039) wcz2008 2012-04-21 2012-04-22 12:01:23 by wcz2008
[Gaussian] [已完结]构型已优化，算频率时出错了，writwa，请问是什么原因？如果改gjf文件？ (评阅-5) (3/907) greta2009 2012-04-21 2012-04-21 20:55:17 by greta2009
[Gaussian] [已完结]高斯计算电荷问题 (0/1098) liushimeng 2012-04-20 2012-04-21 17:31:37 by liushimeng
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