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[热点] 博士推荐 花儿笑? 2026-02-28 刚刚
[Gaussian] [已完结]关于不同金属取代的MOF！！！急求！！！ (3/1193) haoguoyu 2013-10-28 2013-10-30 11:04:52 by Voland
[Gaussian] [已完结]formchk用不了，显示killed (2/1038) 毛毛虫_ 2013-10-25 2013-10-30 10:04:55 by 毛毛虫_
[Gaussian] [已完结]氢转移反应的BSSE (2/495) shobuu 2013-07-04 2013-10-30 07:58:28 by marson
[Gaussian] [已完结]NTO出错 (9/1790) 732749120 2013-10-26 2013-10-28 11:06:12 by 枪下游魂
[Gaussian] [已完结]求高斯软件在环境问题中的应用 (8/1696) 精英崛起 2013-10-26 2013-10-27 23:21:58 by dyhemei
[Gaussian] [已完结]the energy gap of LUMO and LOMO (8/1382) appletree 2013-10-23 2013-10-27 20:31:28 by appletree
[Gaussian] [已完结]spin density and MOs (3/653) ivylxjlove 2013-10-26 2013-10-27 19:36:26 by marson
[Gaussian] [已完结]请问在高斯官网上求助时可以添加附件吗 (6/778) 左边_在左边 2013-10-21 2013-10-26 14:54:07 by 左边_在左边
[Gaussian] [已完结]激发态chk文件基础上怎么计算NTO (1/520) 1126229577 2013-10-26 2013-10-26 08:38:59 by 1126229577
[Gaussian] 一个Shell脚本用于提取TD输出结果中的跃迁能、波长、振子强度 (3/746) 思雨G十年 2013-10-23 2013-10-25 10:25:08 by tangsw911
[Gaussian] [已完结]50个原子做M06几乎不可能啊 (8/828) ryxiao 2013-10-22 2013-10-25 08:31:26 by lishijunzong
[Gaussian] 【求助】谁给个gauss view的链接 (2/475) kingoywm 2011-03-31 2013-10-25 08:05:07 by 天行者的信仰
[Gaussian] [已完结]Error termination via Lnk1e in /home/program//g09/l913.exe 怎么解决？ (0/3446) 每天学一点 2013-10-23 2013-10-23 22:22:08 by 每天学一点
[Gaussian] [已完结]怎么优化氘代甲烷 (3/1142) 量化游击队 2013-10-22 2013-10-23 18:18:41 by yjcmwgk
[Gaussian] [已完结]求助：如何用Gaussian计算激发态偶极矩？ (6/1946) sarkurai 2013-10-19 2013-10-23 16:23:34 by sobereva
[Gaussian] 【求助】溶剂中能量计算L301出错 (7/1643) xner 2009-11-03 2013-10-22 18:37:20 by cyp8807
[Gaussian] [已完结]量化新手，最近在用高斯09计算超精细耦合常数和g因子。求各位大神多多帮助，谢谢！ (2/1427) yxfwelldone 2012-07-04 2013-10-22 15:19:06 by marson
[Gaussian] [关贴]G2方法计算 (0/234) 111222000 2013-10-22 2013-10-22 08:54:14 by 111222000
[Gaussian] [已完结]Cubic anharmonic force constant 怎么算？ (2/885) xiemin8761 2013-10-21 2013-10-22 08:41:19 by xiemin8761
[Gaussian] [已完结]TDDFT优化结构，总显示错误。 (1/731) 太妃糖么么 2013-10-21 2013-10-22 06:55:55 by 枪下游魂
[Gaussian] [已完结]g09w.exe被avast拦截 (1/473) oyezzy 2013-10-21 2013-10-22 06:31:30 by 枪下游魂
[Gaussian] 如何看casscf计算交叉点产生的对角矩阵，怎么判断是哪两个态的交叉 (2/1108) 行云流水cs 2012-06-28 2013-10-21 22:57:24 by 易晶2013
[Gaussian] [已完结]看看是不是计算机节点分配的毛病 (3/1247) daun 2013-10-20 2013-10-21 14:28:55 by daun
[Gaussian] 计算配电脑资讯 (7/1117) xllifan 2013-10-07 2013-10-21 10:12:59 by 奔跑的爷们
[Gaussian] [已完结]同一个分子的不同晶体，同样的方法得到的优化结果不一样 (2/252) gqcyfever 2013-10-21 2013-10-21 10:10:06 by gqcyfever
[Gaussian] [已完结]要计算一个分子的紫外吸收，请教怎么建输入文件啊 (1/315) 123just 2013-10-21 2013-10-21 09:40:15 by 枪下游魂
[Gaussian] 求助有关高斯优化和频率计算的收敛问题 (4/1919) neverbeing 2013-10-17 2013-10-20 22:26:27 by ZZU2011
[Gaussian] [已完结]Gaussian不同算法，同样的基组，得出来的结果偏差很大，原因何在？ (2/762) flyingfish00 2013-10-20 2013-10-20 16:32:20 by dreamyeye
[Gaussian] 【求助完毕】集群上Gaussian并行任务的内存设置问题 (3/917) gongxd325 2010-12-27 2013-10-19 19:34:46 by 836449366
[Gaussian] [已完结]国庆节考试了！Gaussian一道考试题，有没有能答上的！ (6/969) ouyang_feng 2013-09-28 2013-10-19 10:46:42 by ouyang_feng
[Gaussian] [已完结]升华热的计算 (2/2682) 156128305 2013-10-18 2013-10-19 03:32:53 by sobereva
[Gaussian] [已完结]Linux gaussian请教    ( 1 2 ) (10/1256) youthcould 2013-10-17 2013-10-18 17:40:33 by qchem
[Gaussian] [已完结][b]关于过渡态，这个问题怎么解决？？？紧急求助，感谢各位大侠！！[/b] (8/1406) 学员jDhte6 2013-10-17 2013-10-18 12:39:34 by zwnjust
[Gaussian] [已完结]高斯 FCHT 频率计算 不报错 也不计算（貌似） 怎么破？ (3/1091) 枪下游魂 2013-10-17 2013-10-18 06:54:52 by 枪下游魂
[Gaussian] petite list used in FoFCou 就算不动了 (8/3658) shaonan 2012-09-07 2013-10-17 15:40:01 by chris1128
[Gaussian] [已完结]求助！！！甲烷的摘氢机理如何搜索？？？ (3/645) 人生荀回 2013-10-17 2013-10-17 15:17:11 by 人生荀回
[Gaussian] [已完结]求助！关于gaussian基函数的问题！AO basis set (Overlap normalization) (0/837) niuyingli 2013-10-17 2013-10-17 14:52:08 by niuyingli
[Gaussian] [已完结]高斯中有关基组的选择 (5/4350) renwenjuan 2013-10-16 2013-10-17 09:35:06 by 189眼泪知道
[Gaussian] [已完结]cis方法aug大基组优化团簇能量保持不变却始终不收敛怎么破？ (4/678) skywyy2011 2013-10-15 2013-10-16 22:15:19 by skywyy2011
[Gaussian] [已完结]gaussian作NBO时不同原子的px,py,pz取向问题 (1/618) forestwolf9291 2013-10-16 2013-10-16 18:54:47 by sobereva
[Gaussian] [已完结]急急急！Gaussian09中积分参数是默认的吗?如何查看？谢谢 (2/343) 飘雪儿987712 2013-10-13 2013-10-16 07:38:11 by 枪下游魂
[Gaussian] [已完结]关于gaussian计算跃迁偶极矩的问题？ (1/902) ilxmc 2011-12-08 2013-10-16 05:52:42 by 发飙的蜗牛
[Gaussian] [已完结]请问Gaussian09（Linux）的默认设置文件default.rou在哪里？如何默认设置？ (3/2509) flyingfish00 2013-10-12 2013-10-15 22:12:47 by flyingfish00
[Gaussian] [已完结]PCM模型自由能问题 (1/416) cg陈 2013-10-15 2013-10-15 20:54:41 by cg陈
[Gaussian] [已完结]关于Chemcraft的下载安装 (2/1727) gwlsw890118 2012-07-12 2013-10-15 18:52:58 by daisylian
[Gaussian] [已完结]一个分子和一个金属原子吸附模型怎么建立？ (3/1074) boluomi 2013-10-15 2013-10-15 12:29:12 by 枪下游魂
[Gaussian] [已完结]量子化学 消虚频的办法 (3/991) 768805354 2013-10-13 2013-10-15 10:47:48 by fanqibing789
[Gaussian] [已完结]高斯计算光谱时出错    ( 1 2 ) (10/2264) 782582076 2013-10-09 2013-10-14 20:08:07 by 枪下游魂
[Gaussian] [已完结]高斯优化l103错误 (2/1662) play900325 2013-10-14 2013-10-14 18:50:30 by play900325
[Gaussian] 【求助】急需Gaussian 03 RevB.05 windows 版本 (5/463) yap1985 2010-12-27 2013-10-14 15:09:22 by 29050801
[Gaussian] 【求助】请教一个m062x的问题 (7/2104) sukhoiking 2010-05-25 2013-10-14 10:19:23 by 卡开发发
[Gaussian] [已完结]为什么会出现l9999错误及过渡态初始结构怎么设定？    ( 1 2 ) (14/3071) play900325 2013-10-10 2013-10-14 08:20:13 by sujialing
[Gaussian] [已完结]哪位帮写一下 Si9H12 的程序 (4/666) dongmaojin 2013-10-06 2013-10-13 22:53:42 by dongmaojin
[Gaussian] [已完结]4个yes normal termination，但仍然在运行，为啥 (6/809) F-22猛禽 2013-10-10 2013-10-13 09:35:55 by 大哏林
[Gaussian] [已完结]质子化甲醛的NBO解释 (0/976) nnipp 2013-10-12 2013-10-12 17:08:32 by nnipp
[Gaussian] [已完结]Gaussian 09 处理后的文件始终无法在AMBER中的antechamber命令中完成    ( 1 2 ) (15/2174) therotyonth 2013-10-06 2013-10-12 10:30:37 by therotyonth
[Gaussian] [已完结]求问如何计算质子化分子的吸收荧光光谱    ( 1 2 ) (14/2258) bingdieduwu 2013-10-09 2013-10-12 10:17:27 by bingdieduwu
[Gaussian] [已完结]高斯计算中出现的问题 (7/1446) renwenjuan 2013-10-08 2013-10-12 09:32:33 by marson
[Gaussian] [已完结]急求用高斯09怎么计算电子激发态 (7/2377) 0502114073 2012-04-17 2013-10-12 06:32:19 by zhangyujin
[Gaussian] [已完结]三维空间中dr如何理解？ (2/518) chenggong2008 2013-10-11 2013-10-11 23:16:06 by ptf6
[Gaussian] [已完结]构型优化问题 (1/391) 小窗夜梦 2013-10-11 2013-10-11 16:31:23 by fubest
[Gaussian] [已完结]新手求助，亚甲基蓝gview图怎么画 (5/1267) 洛之安城 2013-10-11 2013-10-11 10:23:34 by chembetsey
[Gaussian] [已完结]guaasian结果文件怎么看，那部分有用？ (6/953) qshwyz 2013-10-09 2013-10-11 07:01:21 by 枪下游魂
[Gaussian] [已完结]求助l202错误    ( 1 2 ) (13/2983) 雾溪之魅 2013-10-09 2013-10-10 14:34:02 by dreamyeye
[Gaussian] [已完结]硫团簇的DFT计算 (0/419) 嗨，大家好 2013-10-10 2013-10-10 11:45:35 by 嗨，大家好
[Gaussian] 【求助】Gaussian如何计算共振拉曼(resonance raman) ？ (5/2772) tephoon78 2010-11-02 2013-10-10 05:40:21 by shenhai1315
[Gaussian] [已完结]有关HOMO和LUMO轨道，方向性的问题 (5/2935) 喻儿在线 2013-10-08 2013-10-09 21:28:06 by 喻儿在线
[Gaussian] Gaussview4不能读取Gaussian09的freq? (3/997) 月下叹逍遥 2013-09-28 2013-10-09 17:17:27 by 月下叹逍遥
[Gaussian] [已完结]关于基组选择，谢大侠 (3/1015) 雾溪之魅 2013-10-09 2013-10-09 16:52:14 by 雾溪之魅
[Gaussian] [已完结]想求助这个l301错误，谢谢大侠们 (2/823) 雾溪之魅 2013-10-09 2013-10-09 11:15:22 by 枪下游魂
[Gaussian] [已完结]高斯NBO分析中怎么看未配对电子的分子轨道 (0/436) 忧伤的小猪 2013-10-09 2013-10-09 10:44:55 by 忧伤的小猪
[Gaussian] 有没做过渡态的，多多交流，学习    ( 1 2 ) (14/1293) 易晶2013 2013-07-30 2013-10-09 09:41:14 by 易晶2013
[Gaussian] [已完结]锐钛矿型二氧化钛的结构如何构建 (2/1180) qshwyz 2013-10-02 2013-10-09 09:21:28 by fubest
[Gaussian] [已完结]高斯分层计算 (2/748) zjx187 2013-10-08 2013-10-08 20:22:37 by zjx187
[Gaussian] [已完结]激发态的homo和lumo    ( 1 2 ) (14/4114) Illusionist 2011-11-08 2013-10-08 12:56:19 by 喻儿在线
[Gaussian] [已完结]高斯计算 (0/2967) 李晓绒 2013-10-08 2013-10-08 10:09:25 by 李晓绒
[Gaussian] [已完结]溶剂效应输入文件 (9/1388) kxhanna 2013-09-28 2013-10-08 09:01:22 by kxhanna
[Gaussian] [已完结]混合基组出错 (5/1525) mika 2013-09-01 2013-10-07 21:19:00 by lishijunzong
[Gaussian] [已完结]急求各位前辈帮忙看一下审稿意见 (5/1050) 0502114073 2011-11-28 2013-10-07 15:50:07 by liping888
[Gaussian] [已完结]如何利用高斯软件计算分子的HOMO,LUMO,S1，T1 (4/2616) fegnzaixie 2013-10-03 2013-10-06 11:15:13 by fegnzaixie
[Gaussian] [已完结]低激发态 最低激发态 怎么看？ (1/350) luojin7653 2013-10-06 2013-10-06 10:55:04 by 枪下游魂
[Gaussian] 【求助】通过能垒如何计算反应温度？ (5/1735) xjz_zjx 2010-06-02 2013-10-06 08:41:59 by lijiao_112
[Gaussian] [已完结]关于新分子gaussian输入文件、对称性、分子最小能量构型之间的矛盾 (2/645) 海底的鱼0412 2013-10-05 2013-10-05 10:37:16 by 海底的鱼0412
[Gaussian] [已完结]菜鸟 求指导啊 (7/1321) 忧伤的小猪 2013-09-24 2013-10-04 21:34:00 by 忧伤的小猪
[Gaussian] [已完结]高斯中怎么计算inverted compliance constant（ICC） (5/755) grape_0805 2013-09-29 2013-10-04 09:22:39 by beefly
[Gaussian] [已完结]gaussianview可不可以显示计算出来的键能 (3/2280) lorlee 2013-09-29 2013-10-04 00:01:28 by benzheng1986
[Gaussian] [已完结]新人求助 (2/389) karl1204 2013-06-01 2013-10-03 11:41:13 by karl1204
[Gaussian] [已完结]如何界定两个原子是否成键？求解 (5/1894) xiemin8761 2013-10-02 2013-10-02 23:59:49 by 化学势
[Gaussian] [已完结]potential energy surface 和 Hessian matrix eigenvalues怎么计算啊？？？    ( 1 2 ) (13/1542) luckone2013 2013-09-26 2013-10-02 19:57:21 by luckone2013
[Gaussian] [已完结][关贴]计算求助 (1/387) chiweijie 2013-10-01 2013-10-01 23:00:04 by gmy1990
[Gaussian] [已完结]求Gaussian 09 C01 revision for windows (2/711) huangry2006 2012-08-14 2013-10-01 03:30:36 by qchem
[Gaussian] [已完结]文献中频率不能重复 (8/1178) 小窗夜梦 2013-09-28 2013-09-30 11:18:35 by 小窗夜梦
[Gaussian] [已完结]求助rigid scan中的“no variable in z-matrix”问题 (1/900) snake3208 2013-09-28 2013-09-29 18:06:13 by snake3208
[Gaussian] [已完结]请教转化频率（TOF）用理论计算的问题 (0/1185) chuchu6816 2013-09-29 2013-09-29 16:54:40 by chuchu6816
[Gaussian] 请问在高斯09中做溶剂化时，在SCRF中是不是要同时加PCM和SMD关键词？ (1/1027) liweiyi123456 2013-09-28 2013-09-29 14:15:25 by 南飞探
[Gaussian] [已完结]DFT方法的研究 (0/1357) 李晓绒 2013-09-29 2013-09-29 10:46:44 by 李晓绒
[Gaussian] [已完结]计算三阶态求和，算了200个激发态不收敛，结下来算三百个还有意义吗 (0/220) linyan123 2013-09-29 2013-09-29 09:20:29 by linyan123
[Gaussian] [已完结]Gaussianview 就会自动闪灭 (6/665) maoyongzy 2013-09-24 2013-09-28 20:02:50 by maoyongzy
[Gaussian] [已完结]TD后的轨道分析 (0/279) 小热胖胖 2013-09-28 2013-09-28 18:00:32 by 小热胖胖
[Gaussian] [专家] [已完结]关于Gaussian09 linda的问题 (0/970) 卡开发发 2013-09-28 2013-09-28 04:58:41 by 卡开发发
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