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[热点] 276求调剂 路lyh123 2026-03-02 刚刚
[Gaussian] [关贴]【活动】征集：高斯09能做但高斯03做不了的研究实例 (评阅+341) (8/1668) hairan 2010-07-19 2010-08-14 01:52:56 by greaticeland
[Gaussian] 【求助】量子力学模拟结果与初始结构是否有关 (5/1107) 我思固我在 2010-03-13 2010-08-13 19:16:38 by x7511413
[Gaussian] 【求助】该图所表示的含义 (2/298) ww1987 2010-08-10 2010-08-13 14:50:53 by recoli
[Gaussian] 【求助】重金悬赏 有什么办法可以使发射光谱做的更好些 (3/551) fegnzaixie 2010-08-12 2010-08-13 14:33:19 by heyo_123
[Gaussian] 【求助】CAFSCF计算 (2/510) tuzi198711 2010-08-11 2010-08-13 13:42:40 by lb1586551
[Gaussian] 【求助】基组问题 (1/286) sunlong650 2010-08-12 2010-08-12 20:45:52 by recoli
[Gaussian] 【求助】求助，g09中TD优化激发态，频率计算时出现错误。 (8/1620) loovfnd 2010-08-12 2010-08-12 18:07:13 by jiewei
[Gaussian] 【求助】关于一个很小的虚频 (3/1024) caozf 2010-08-11 2010-08-12 08:36:12 by 王中学
[Gaussian] 【求助】linux下计算遇到的问题 (2/364) Cybertron 2010-08-11 2010-08-12 00:11:16 by Cybertron
[Gaussian] 【求助】请教Gaussian错误（CIS计算激发态） (2/815) z5476t4508 2010-08-11 2010-08-11 10:30:14 by springxa
[Gaussian] 【求助】对qst2结果进行TS优化却无法完成，是何缘故    ( 1 2 ) (14/1341) 王闯 2010-07-30 2010-08-11 10:29:02 by 王闯
[Gaussian] 【求助】Gaussian计算raman频率的峰强问题 (0/443) 学员7x1BDe 2010-08-10 2010-08-10 15:41:35 by yzw525838362
[Gaussian] 【讨论】AIM, NMR, NBO与溶剂效应 (0/241) sophia_999 2010-08-10 2010-08-10 15:25:44 by sophia_999
[Gaussian] 【求助】请教gaussian频率计算    ( 1 2 ) (14/2138) chemstar8502 2010-05-13 2010-08-10 14:55:46 by yzw525838362
[Gaussian] 【求助】红外图谱 (2/296) caozf 2010-08-07 2010-08-10 14:44:35 by csfn
[Gaussian] 【求助】IRC出错 (3/771) renxingye 2010-08-03 2010-08-10 08:53:28 by LuPeng5366
[Gaussian] 【讨论】限制对称性优化 (0/324) xiuhui 2010-08-07 2010-08-07 07:11:50 by xiuhui
[Gaussian] 【求助】开壳层优化时能否不区分alpha和beta电子？ (6/1136) mplanck 2010-08-05 2010-08-06 22:19:34 by mplanck
[Gaussian] 【求助】关于金属的计算 (1/414) zrcrong 2010-08-06 2010-08-06 15:16:05 by xiaowandouer
[Gaussian] 【求助】Vertical electron affinity(VEA)的物理意义是什么？ (1/713) LuPeng5366 2010-08-06 2010-08-06 13:40:34 by jiewei
[Gaussian] 【求助】垂直拆分能（VDE）和绝热拆分能（ADE）的物理意义是什么？ (1/1558) LuPeng5366 2010-08-05 2010-08-06 08:17:49 by quantumor
[Gaussian] 【求助】在Windows下的高斯5.0.8版本checkpoint时，点了保存，但一直不能生成chk文件 (8/2003) 星云4 2010-08-04 2010-08-05 17:35:31 by 星云4
[Gaussian] 【求助】ONIOM计算中遇到的一些问题 (0/242) huying15 2010-08-04 2010-08-05 17:26:51 by huying15
[Gaussian] 【求助】ONIOM计算求助的初级问题 (0/283) huying15 2010-08-03 2010-08-05 17:26:29 by huying15
[Gaussian] 【已完结】【求助】Gaussian 09中有没有增加溶剂？ (1/296) zhjie717 2010-08-04 2010-08-04 21:46:54 by zhjie717
[Gaussian] 【求助】MLCT的查看 (7/1583) zhulijuan001 2010-07-31 2010-08-04 12:12:12 by wuy069
[Gaussian] 【求助】谁知道怎么用coupled cluster 方法计算吸收谱？ (5/884) gnli 2010-07-28 2010-08-04 00:36:40 by beefly
[Gaussian] 【求助】求助高斯输入文件写法 (3/1357) z5476t4508 2010-08-01 2010-08-03 09:25:12 by zhjie717
[Gaussian] 【求助】八核服务器，高斯的运行时间比较奇怪 (3/1273) xiaowandouer 2010-08-02 2010-08-02 21:46:54 by recoli
[Gaussian] 【求助】使用TDDFT优化几何出错 (6/1227) lixiaona158 2010-07-29 2010-08-02 10:33:06 by lixiaona158
[Gaussian] 【求助】请问delta G与ee%的关系 (1/555) thegrimreaper 2010-07-30 2010-07-31 09:24:46 by bay__gulf
[Gaussian] 【求助】优化完成后发现，最后得到的结构不是能量最低 (2/484) crystalzjy 2010-07-29 2010-07-30 21:27:41 by ope123456789
[Gaussian] 【求助】问如何选择基组精确计算有机小分子结构和能量的问题 (5/1788) chemzhh 2010-07-30 2010-07-30 18:40:48 by jiewei
[Gaussian] 【求助】MO能量计算结果的解释 (1/330) tsihu 2010-07-29 2010-07-30 14:01:38 by tsihu
[Gaussian] 【求助】计算时分子结构被破坏 (5/627) henuhaog 2010-07-27 2010-07-30 12:07:18 by jiewei
[Gaussian] 【求助】这两个基组的区别 (5/895) chemzhh 2010-07-26 2010-07-30 09:54:41 by chemzhh
[Gaussian] 【求助】为什么计算时总出现指令引用的“ ”内存，该内存不能为“read"    ( 1 2 3 ) (26/2018) zongwww 2010-07-19 2010-07-29 22:53:50 by wangyoucaom
[Gaussian] 【求助】G03 ADM64版本，纳米盘链接基本全部失效 (0/300) ChemiAndy 2010-07-29 2010-07-29 12:07:42 by ChemiAndy
[Gaussian] 【求助】分子内两个部分作用是否要加BSSE (1/307) tiechong 2010-07-28 2010-07-29 11:01:57 by 半支烟5591
[Gaussian] 【求助】Software of calculation using time-dependent perturbation theory (0/175) seainthesky 2010-07-29 2010-07-29 00:30:45 by seainthesky
[Gaussian] 【求助】NMR 分析 (0/340) zhaoxia2501 2010-07-28 2010-07-28 22:41:50 by zhaoxia2501
[Gaussian] 【求助】B3LYP B3PW91 PBE0 BHLYP 泛函的具体差别是什么？ (4/3440) gnli 2010-07-28 2010-07-28 21:15:50 by awmc2008
[Gaussian] 【求助】有没有同学使用高斯的PBC模型给纳米管建过模？ (1/698) topten-gg 2010-07-27 2010-07-28 11:27:05 by 九仙居士
[Gaussian] 【求助】红外吸收光强 与吸收系数 怎么转换？ (0/453) shuo2008 2010-07-25 2010-07-27 12:34:23 by shuo2008
[Gaussian] [关贴]【求助】转帖，算荧光遇到类似问题，请教 (2/411) loovfnd 2010-07-23 2010-07-27 12:33:45 by gyli
[Gaussian] 【求助】CAS计算 (0/394) tuzi198711 2010-07-27 2010-07-27 10:27:22 by tuzi198711
[Gaussian] 【求助】HOMO LUMO 能量差值过大 (8/1836) zhulijuan001 2010-07-23 2010-07-27 10:03:21 by noeyedragon
[Gaussian] 【求助】计算红外光谱 (4/1428) yufeikl 2010-07-24 2010-07-25 21:02:17 by 半支烟5591
[Gaussian] 【求助】如何写命令 (6/1227) zongwww 2010-07-22 2010-07-25 11:27:33 by noeyedragon
[Gaussian] 【求助】势能面出错 (6/1533) tjuZidan 2010-07-22 2010-07-24 18:39:24 by tjuZidan
[Gaussian] 【讨论】请问Gaussian03程序现在是否免费    ( 1 2 3 ) (20/1790) kaluoyi2008 2010-07-22 2010-07-24 15:58:56 by snoopyzhao
[Gaussian] 【求助】关于电子密度 (3/1027) tongling921 2010-07-22 2010-07-23 21:08:18 by tongling921
[Gaussian] [专家] 【求助】我来求问个问题吧 (2/392) jiewei 2010-07-23 2010-07-23 20:47:37 by lihb734
[Gaussian] [专家] 【求助】如何计算低温荧光 (1/534) ggdh 2010-07-23 2010-07-23 12:50:55 by jiewei
[Gaussian] 【讨论】windows 7 和 windows XP下GAUSSIAN哪个更快 (6/1542) tiechong 2010-07-15 2010-07-23 11:06:08 by zhangmt
[Gaussian] 【求助】关于带电体的优化 (8/1166) zrcrong 2010-07-22 2010-07-23 00:23:31 by zhangmt
[Gaussian] 【求助】linux开机GDM无法写入 (1/777) sunlong650 2010-07-22 2010-07-22 20:47:16 by abbott
[Gaussian] 【求助】关于计算吸收光谱的结果处理 (4/1390) caozf 2010-07-21 2010-07-22 11:00:58 by gyli
[Gaussian] 【求助】优化出的过渡态用stable不稳定 (4/451) 左边8399 2010-07-19 2010-07-22 09:03:32 by 左边8399
[Gaussian] 【求助】分子的硬度与分子生物活性正相关，有问题吗 (2/348) 15200505003 2010-07-21 2010-07-21 22:11:35 by Jenny0428
[Gaussian] 【求助】大家帮忙看一下我做的激发态 (8/2062) 越走越远 2010-07-13 2010-07-21 21:43:21 by c111999
[Gaussian] 【求助】高斯能模拟不同PH值吗    ( 1 2 ) (10/1610) snowliu2007 2010-07-17 2010-07-21 16:14:49 by 冬天里的骄阳
[Gaussian] 【求助】大热天，linux-gaussian 09安装失败,解压提示：error,data integrity, (4/1514) 去伪存真 2010-07-20 2010-07-21 13:22:25 by 奔鲨
[Gaussian] 【求助】相对论 (6/1087) sdjgdu 2010-07-19 2010-07-21 07:26:17 by liu_fl
[Gaussian] 【求助】求助Cu(I)和Cu(II)催化有机反应的相关文献 (0/312) stewart1922 2010-07-20 2010-07-20 15:23:53 by stewart1922
[Gaussian] 【求助】请问高斯09计算频率时是并行的吗？ (0/585) ter20 2010-07-20 2010-07-20 10:45:18 by ter20
[Gaussian] 【求助】关于gview的设置 (1/275) sunlong650 2010-07-20 2010-07-20 10:43:16 by heyo_123
[Gaussian] 【求助】请教500k的热力学参数的输入文件如何编写 (1/231) fu103 2010-07-19 2010-07-19 15:15:16 by S07111072
[Gaussian] 【求助】casscf优化收敛失败--急求助 (3/1603) shinee 2010-07-17 2010-07-19 10:58:54 by shinee
[Gaussian] 【求助】对称破缺态怎么设置 (0/254) jghe 2010-07-18 2010-07-18 21:30:55 by jghe
[Gaussian] 【已解决】【求助】运行Gaussian 09，出现段错误，求救！ (8/2006) Azhao2000 2010-07-15 2010-07-18 16:54:44 by Azhao2000
[Gaussian] 【求助】二茂铁的自旋多重度怎么算 (3/859) yinlixian 2010-07-16 2010-07-18 11:18:08 by donghua397
[Gaussian] 【求助】请教大家如何计算构型在溶液或熔融体环境中的振动？ (0/205) didi5158 2010-07-17 2010-07-17 23:13:38 by didi5158
[Gaussian] 【求助】高斯的内存分配方式 (4/1618) lihb734 2010-07-16 2010-07-16 23:22:06 by abbott
[Gaussian] 【讨论】今天看到一个JACS有点意思……随便思考了点儿东西，请大家斧正 (评阅+10) (7/1600) yjcmwgk 2010-07-15 2010-07-16 13:41:31 by qzhaosdu
[Gaussian] 【求助】计算homo和lumo轨道出错    ( 1 2 ) (14/1603) saradzj 2010-07-13 2010-07-15 22:48:39 by zhangmt
[Gaussian] 【讨论】话题：Ir(111)配合物用高斯优化时的自旋多重度 (评阅+3) (3/1683) fegnzaixie 2010-07-14 2010-07-15 16:36:04 by hairan
[Gaussian] 【求助】[求助]自由基...阳离子体系电荷、多旋度如何选？ (0/344) spring965 2010-07-15 2010-07-15 16:27:34 by spring965
[Gaussian] 【求助】gaussian频率计算误差 (0/303) zhanping 2010-07-15 2010-07-15 15:29:25 by zhanping
[Gaussian] 【讨论】做反应机理 (4/447) sunlong650 2010-07-15 2010-07-15 15:16:54 by tangbaowei
[Gaussian] 【求助】初学gaussian中的运行问题 (8/652) zzti314 2010-07-10 2010-07-15 10:23:33 by 11shishui
[Gaussian] 【讨论】咨询计算化学投稿jacs (8/1941) baiyang2000 2010-07-12 2010-07-15 10:12:11 by shimmer28
[Gaussian] 【讨论】关于光化学反应的计算 (0/535) ZJboy 2010-07-14 2010-07-14 23:29:20 by ZJboy
[Gaussian] 【求助】HOMO 和LUMO能量 (2/715) sunlong650 2010-07-14 2010-07-14 21:29:49 by springxa
[Gaussian] 【讨论】关于荧光光谱的计算？ (5/1336) a349857460 2010-07-13 2010-07-14 19:26:08 by yongleli
[Gaussian] 【求助】Electron density difference maps是怎么做出来的 (3/1177) xiaogang06 2010-07-14 2010-07-14 16:26:36 by xiaogang06
[Gaussian] 【求助】G03中有VSXC方法吗？为什么我一输入进去就link died？ (6/850) happyly3882 2010-07-07 2010-07-14 16:24:14 by happyly3882
[Gaussian] 【求助】菜鸟提问 谁能告诉我如何进行局部优化啊？ (4/609) maxinyan09 2010-07-14 2010-07-14 16:18:12 by springxa
[Gaussian] 【求助】帮忙分析下这个出错~no basis function (5/1033) 学员paSMd8 2010-07-10 2010-07-14 13:30:34 by springxa
[Gaussian] 【讨论】关于CASSCF计算的软件 (8/2447) yangqianliu 2010-05-28 2010-07-14 13:18:06 by springxa
[Gaussian] 【求助】采用HF 6-31G 计算单点能出错 (4/786) saradzj 2010-07-13 2010-07-13 22:15:17 by saradzj
[Gaussian] 【讨论】刚看一本书里面的一句话，呵呵 (2/260) coolrainbow 2010-07-13 2010-07-13 22:03:16 by coolrainbow
[Gaussian] 【求助】计算错误 帮忙看看 (6/1095) ww1987 2010-07-05 2010-07-13 19:08:56 by beyondboyy
[Gaussian] 【求助】菜鸟急问！ (4/429) ckch2005 2010-07-13 2010-07-13 17:38:17 by ckch2005
[Gaussian] 【求助】请教gaussian频率计算的问题 (0/258) shuo2008 2010-07-13 2010-07-13 17:11:49 by shuo2008
[Gaussian] 【求助】有用双系统跑高斯的吗？    ( 1 2 ) (19/1687) piaoxue001 2010-06-21 2010-07-13 11:17:03 by 043114076
[Gaussian] 【求助】Mulliken 能否这么用？ (4/506) liujodan 2010-07-12 2010-07-13 08:43:06 by yjcmwgk
[Gaussian] 【求助】吸收光谱计算中激发的CI展开系数有什么意义 (1/584) 172304 2010-07-04 2010-07-12 23:40:19 by ccyb
[Gaussian] 【求助】高斯安装的问题 (0/1574) tiramisu0217 2010-07-12 2010-07-12 23:38:18 by tiramisu0217
[Gaussian] 【求助】NICS计算 (0/561) ww1987 2010-07-12 2010-07-12 17:49:39 by ww1987
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