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[热点] 酰胺脱乙酰基 chibby 2026-02-09 刚刚
[Gaussian] 【讨论】我得忏悔，呜呜呜呜 (2/298) coolrainbow 2010-10-15 2010-10-15 21:19:21 by 3867826
[Gaussian] 【求助】请各位达人帮看下这个输入文件有问题么？谢谢 (2/313) fanlitao20 2010-10-15 2010-10-15 12:11:30 by manson1998
[Gaussian] 【求助】请问紫外可见光谱的实验数值可以与DFT计算的homo/lumo数值进行比对吗？ (1/545) tcsn2174 2010-10-15 2010-10-15 09:31:22 by ykwang
[Gaussian] 【求助】势能面系间穿越的问题 (0/651) wangf811 2010-10-14 2010-10-14 23:19:37 by wangf811
[Gaussian] 【求助】超极化率单位a.u.与esu的换算因子 (1/2525) kanglz 2010-10-14 2010-10-14 20:56:13 by lihb734
[Gaussian] 【求助】拟合amber参数 (0/287) xinglaidor 2010-10-14 2010-10-14 16:58:50 by xinglaidor
[Gaussian] 【求助】高斯计算 (6/817) convenient 2010-10-12 2010-10-14 16:11:17 by convenient
[Gaussian] 【求助】求gaussview for linux及其安装~~~谢谢~~~ (1/403) jin912 2010-10-13 2010-10-13 22:46:32 by abbott
[Gaussian] 【求助】溶剂化模型中关于溶剂的问题？ (5/1913) lwg020810 2010-10-10 2010-10-13 21:59:31 by zhaojy008
[Gaussian] 【求助】.chk文件找不到 (2/1208) 某马甲 2010-10-12 2010-10-13 14:48:00 by hliu
[Gaussian] 【求助】过渡态搜索问题 (8/1959) wzjxq 2010-10-09 2010-10-13 12:48:26 by fatpig8832
[Gaussian] 【求助】四川大学谁做计算的？    ( 1 2 ) (13/2665) 3867826 2010-10-09 2010-10-13 08:30:18 by fangyongxinxi
[Gaussian] 【讨论】guess=read和guess=(read,only)产生的波函数一样不 (6/748) tiechong 2010-10-09 2010-10-13 02:42:53 by sobereva
[Gaussian] 【求助】求助pcm模型溶剂半径问题 (0/422) xixi1007 2010-10-12 2010-10-12 19:04:50 by xixi1007
[Gaussian] 【求助】那位朋友给我找文献一篇 (2/240) liu_fl 2010-10-12 2010-10-12 15:24:34 by erylingjet
[Gaussian] 【求助】微溶化问题 (1/324) dragonli 2010-10-11 2010-10-12 14:57:36 by manson1998
[Gaussian] 【求助】审稿人问题 (1/363) nanasj 2010-10-11 2010-10-11 21:29:00 by sobereva
[Gaussian] 【求助】求助载流子（电子，空穴）迁移速率应该怎么计算？ (0/826) lwg020810 2010-10-11 2010-10-11 20:05:10 by lwg020810
[Gaussian] 【求助】如何对二面角进行势能面扫描 (2/1028) smz2008 2010-10-11 2010-10-11 18:49:57 by jiewei
[Gaussian] 【讨论】H-BEA分子筛优化后结果和文献不一样，是怎么回i事？高手指点一下 (4/1016) tangbaowei 2010-06-10 2010-10-11 18:09:33 by tangbaowei
[Gaussian] 【求助】求助哪位大侠帮我分析下电子密度差分图    ( 1 2 ) (16/3213) zhilv 2010-10-09 2010-10-11 16:26:59 by zhilv
[Gaussian] 【求助】自旋设置 (5/1109) mickey381 2010-10-09 2010-10-11 01:25:28 by sobereva
[Gaussian] 【求助】pdb文件转换成gjf文件问题 (4/2248) sunzhiguo 2010-10-09 2010-10-10 14:55:05 by sunzhiguo
[Gaussian] 【求助】请教 (6/438) mickey381 2010-10-08 2010-10-10 07:52:30 by zhangmt
[Gaussian] 【求助】各位高手如何整理高斯结果的？ (6/1007) hxy366 2010-10-09 2010-10-10 07:40:25 by emc2
[Gaussian] 【求助】求L9999报出，比较好的解决方法。    ( 1 2 ) (11/1243) 若诗 2010-09-27 2010-10-09 21:44:23 by 若诗
[Gaussian] 【求助】gv中数字能否调大点 (2/267) wst129 2010-10-09 2010-10-09 10:46:21 by manson1998
[Gaussian] 【讨论】高斯优化时出错 open of exec.fil failed 怎么处理？ (0/166) 流放二号 2010-10-09 2010-10-09 08:41:50 by 流放二号
[Gaussian] 【求助】大虾们请进，高斯中fchk文件出错 (3/1086) penghcp 2010-10-08 2010-10-09 05:57:32 by tiechong
[Gaussian] 真是怪了 (0/185) tiechong 2010-10-08 2010-10-08 21:39:21 by tiechong
[Gaussian] 【讨论】加显性水和加溶剂模型,如PCM的效应是一样的吗？ (1/441) xiafuting 2010-10-08 2010-10-08 21:22:14 by quantumor
[Gaussian] 【求助】Benson’s additivity rules是一个计算热力学数据的软件吗？ (1/379) 314202528 2010-10-08 2010-10-08 20:57:42 by coolrainbow
[Gaussian] 【求助】用Gaussian03中的Field关键词加电场计算的结果如何分析？ (0/917) crystal0714 2010-10-08 2010-10-08 19:02:38 by crystal0714
[Gaussian] 【求助】如何用高斯算发射谱，有例子吗？ (4/636) huangshp 2010-10-07 2010-10-08 14:08:10 by gyli
[Gaussian] 【求助】高斯基组输入求助 (1/410) lingznpmg 2010-09-24 2010-10-08 09:25:19 by gougaozhan
[Gaussian] 【求助】gaussian算td时l801 (3/883) xiaoxiao136 2010-10-03 2010-10-08 09:21:40 by xiaoxiao136
[Gaussian] 【求助】chk文件转换成fchk时出现下列错误，请大家帮帮忙看看怎么回事 (1/725) mengyan142 2010-10-04 2010-10-08 09:16:18 by gougaozhan
[Gaussian] 【求助】Gaussian09和服务器配置 (5/967) phoenixydp 2010-10-05 2010-10-07 17:42:53 by 王中学
[Gaussian] 【求助】用gaussian view 做HOMO,LUMO图 (4/2077) gougaozhan 2010-10-05 2010-10-07 13:05:32 by jyzhao1981
[Gaussian] 【求助】高斯算差分电荷密度图.cube文件行数不同 (1/1383) uvv2010 2010-10-06 2010-10-07 08:20:58 by zhou2009
[Gaussian] 【求助】求助使用cube=cards时的问题 (4/425) zhilv 2010-10-05 2010-10-06 22:40:57 by zhilv
[Gaussian] 【讨论】结构优化出现了一个-3的虚频，大家有好方法吗？ (7/927) zhengpc3505 2010-09-30 2010-10-06 08:49:51 by xulisonghai
[Gaussian] 【求助】gaussian03在服务器如何并行计算 (5/924) liu_fl 2010-10-04 2010-10-05 23:05:29 by liu_fl
[Gaussian] 【求助】Gaussian内存设置    ( 1 2 ) (10/2184) suncedar 2010-09-30 2010-10-05 20:17:32 by zhangmt
[Gaussian] 【求助】gv问题请教 (7/708) wst129 2010-09-27 2010-10-05 09:53:12 by LuPeng5366
[Gaussian] 【讨论】投稿 数据问题    ( 1 2 ) (17/1681) sunhaitao 2010-05-11 2010-10-05 08:19:08 by gougaozhan
[Gaussian] 【求助】有些急，问一个问题 (9/668) chemistryxrw 2010-10-02 2010-10-04 19:01:06 by libo8085
[Gaussian] 【求助】请大家看看我这个输入文件错误的原因 (1/844) lorna639 2010-10-04 2010-10-04 12:52:50 by lb1586551
[Gaussian] 【求助】这个结构的自旋多重度为何是5而不是4呢    ( 1 2 ) (11/2097) hxy366 2010-09-30 2010-10-03 22:40:55 by tiechong
[Gaussian] 【求助】如何写赝势的输入文件 (5/1053) 314202528 2010-09-30 2010-10-03 21:07:14 by lb1586551
[Gaussian] 【求助】有人计算过铁卟啉吗？ (9/1823) proton00 2010-09-23 2010-10-03 21:05:34 by lb1586551
[Gaussian] 【求助】关于NBO分析中的微扰能分析 (1/620) caozf 2010-09-29 2010-10-02 23:35:20 by gaochao85
[Gaussian] 【求助】z矩阵怎么写 谢谢高手帮助！ (1/367) terry52112 2010-09-27 2010-10-02 23:33:46 by gaochao85
[Gaussian] 【求助】gaussian 计算分子结合能 (4/2243) zhanping 2010-09-30 2010-10-01 08:42:03 by erylingjet
[Gaussian] [关贴]【求助】请教会用“密度泛函理论”的师兄师姐    ( 1 2 ) (11/2908) clsjj2005 2010-09-28 2010-10-01 07:00:16 by czyzsu
[Gaussian] 【求助】gaussian 的输入文件 (评阅+1) (4/737) gougaozhan 2010-09-30 2010-09-30 17:48:30 by hairan
[Gaussian] 【求助】优化时出现星号 (8/603) ZJboy 2010-09-29 2010-09-30 10:38:01 by ZJboy
[Gaussian] 【讨论】微调结构是调什么呢 (6/630) crystalzjy 2010-09-26 2010-09-30 09:46:11 by manson1998
[Gaussian] 【求助】请问各位大侠，关于有效位数，有效数字问题 谢谢 (3/955) gothicfat 2010-09-29 2010-09-30 03:51:20 by beefly
[Gaussian] DFT和TDDFT得到的三重态一样吗？ (4/1408) tiechong 2010-09-15 2010-09-30 03:35:47 by tiechong
[Gaussian] 【讨论】分子筛簇模型的建立和相关处理 (3/921) sunzhiguo 2010-09-28 2010-09-29 18:34:24 by erylingjet
[Gaussian] 【求助】关于ee值~~ (1/700) jin912 2010-09-29 2010-09-29 17:11:57 by manson1998
[Gaussian] 【求助】哪位能推荐几篇关于基组选择的文献 (4/706) suosuosky 2010-09-27 2010-09-29 08:27:03 by yjcmwgk
[Gaussian] 【求助】linux下使用gauss的问题 (4/1306) xk6891 2010-09-28 2010-09-28 19:20:09 by xk6891
[Gaussian] 【求助】高斯计算非正常结束 (5/1137) husnjls 2010-09-28 2010-09-28 17:29:24 by husnjls
[Gaussian] 【求助】群里面有谁在做或者做过反应机理的研究，能不能说下过程或者给点意见 (1/293) tangbaowei 2010-09-28 2010-09-28 17:24:30 by manson1998
[Gaussian] 【求助】使用ONIOM的请进 (3/505) sunzhiguo 2010-09-24 2010-09-28 11:17:58 by sunzhiguo
[Gaussian] 【求助】过渡态的确定 (8/1264) bingyi3 2010-09-24 2010-09-28 10:26:14 by zhangmt
[Gaussian] 【求助】弱问一下gaussian03输出结果中这些缩写的含义，谢谢！ (5/1782) hxy366 2010-09-25 2010-09-27 21:37:45 by coolrainbow
[Gaussian] 【求助】关于Re的基组 (7/779) xiaoxiao136 2010-09-22 2010-09-27 21:18:34 by lingznpmg
[Gaussian] 【求助】大家有没有跑IRC时加PCM的啊？ (1/317) xiafuting 2010-09-27 2010-09-27 17:12:34 by quantumor
[Gaussian] 【求助】高斯出错求助 (2/479) niuwenyu86 2010-09-27 2010-09-27 16:57:27 by erylingjet
[Gaussian] 【求助】超顺电是什么？ (0/347) benxiaohaimo 2010-09-27 2010-09-27 11:00:18 by benxiaohaimo
[Gaussian] 【求助】金属酶的理论研究 (3/450) x7511413 2010-09-26 2010-09-27 08:38:33 by manson1998
[Gaussian] 【求助】关于gaussian输出结果的基函数个数 (4/1285) suosuosky 2010-09-26 2010-09-27 08:16:05 by suosuosky
[Gaussian] 【求助】【求助】溶液pcm优化，要否做IRC (6/588) xiafuting 2010-09-26 2010-09-26 18:32:46 by xiafuting
[Gaussian] 【求助】过渡态 (8/938) sunlong650 2010-07-09 2010-09-26 16:01:41 by ggdh
[Gaussian] 【求助】哪位高手可以帮我算一下苯甲酸锂和乙酸铯的偶极 (1/509) twtmaster 2010-09-25 2010-09-26 14:20:12 by manson1998
[Gaussian] 【求助】在计算含pt的吸收光谱的时候，居然出现 l801错误，请教怎样解决？ (3/1124) wutongshun 2010-09-22 2010-09-26 13:36:05 by blueybz
[Gaussian] 【求助】Cu(I)配合物配位数一般是多少？ (2/783) husnjls 2010-09-25 2010-09-26 09:41:14 by shalene
[Gaussian] 【求助】计算表面静电势的fchk文件中如何提取数据 (2/629) ronnie5031 2010-09-25 2010-09-26 08:49:16 by ronnie5031
[Gaussian] 【求助】高斯能不能看分子长轴，怎么计算面与面之间的夹角 (5/2521) abei 2010-09-25 2010-09-25 21:41:54 by sculhf
[Gaussian] 【求助】请问大家如何在Guaaisn03中使用EMSL得到的Gausian94格式的基组？ (3/539) zhengpc3505 2010-09-25 2010-09-25 17:55:21 by tjuZidan
[Gaussian] 【讨论】金属与分子间相互作用的计算 (2/329) yzl 2010-07-14 2010-09-25 17:23:05 by husnjls
[Gaussian] 【求助】怎样判断其是构型稳定的？急求    ( 1 2 ) (11/1398) 六块石头 2010-09-24 2010-09-25 15:53:12 by husnjls
[Gaussian] 【求助】氧化还原反应的可逆性 (1/1888) 求学者@凤子 2010-09-24 2010-09-25 13:46:15 by manson1998
[Gaussian] 【求助】New curvilinear step not converged. (1/2857) husnjls 2010-09-25 2010-09-25 13:39:23 by manson1998
[Gaussian] 【求助】g09计算激发态出错    ( 1 2 ) (11/1218) lixue510 2010-09-19 2010-09-25 12:10:44 by wuy069
[Gaussian] 【求助】初次用GAUSSIAN请求指点~~~ (金币≥20)(3/75) isabellee 2010-09-19 2010-09-24 21:43:53 by manson1998
[Gaussian] [专家] 【求助】linda 并行的时候临时文件写在哪里？ (4/640) ggdh 2010-09-19 2010-09-24 21:32:30 by manson1998
[Gaussian] 【求助】研究溶剂效应时介电常数和能量的关系 (1/372) 313588908 2010-09-20 2010-09-24 15:17:24 by 313588908
[Gaussian] 【求助】用高斯计算基态几何结构时收敛没有问题，当计算光谱时出现 l801错误 (0/577) wutongshun 2010-09-24 2010-09-24 13:27:37 by wutongshun
[Gaussian] 【求助】求助 NBO分析中sp杂化方式有点儿奇怪 请教高手 (3/1260) zxm010103 2010-09-23 2010-09-24 08:26:34 by zxm010103
[Gaussian] 【求助】如何在gaussian view里画元素的同位素 (0/468) ctus 2010-09-23 2010-09-23 22:15:12 by ctus
[Gaussian] 【求助】CEP-121G基组收敛，CEP-121G*，SCF迭代就不收敛了，谁知道怎么回事？    ( 1 2 ) (15/1892) gnli 2010-09-17 2010-09-22 17:44:24 by gnli
[Gaussian] 【求助】g09计算激发态时出错 (3/843) lixue510 2010-09-22 2010-09-22 15:31:00 by ggdh
[Gaussian] 【求助】程序报错-急求解决办法 (3/403) 新世纪 2010-09-21 2010-09-22 10:18:28 by 新世纪
[Gaussian] 【求助】高斯计算出错啦，救命阿！ (3/895) ronnie5031 2010-09-19 2010-09-22 10:00:47 by ronnie5031
[Gaussian] 以解决，谢谢【求助】B3LYP/CEP-31G (9/1498) lihong7lin 2010-04-20 2010-09-21 22:44:14 by ZJboy
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