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    [热点] 同事接到电话了,我却没有 1234567wang 2026-08-03 刚刚
    [Gaussian] 【求助】请问这种情况要用到BSSE校正吗? 5 (3/484) vallen 2009-12-19 2009-12-20 12:08:15 by coolrainbow
    [Gaussian] 【求助】请高手指点 (金币≥1)(0/16) jeanie163 2009-12-20 2009-12-20 08:45:10 by jeanie163
    [量化新手 ] 【求助】谁有固体与分子经验电子理论给出的键距方程组编制的计算程序啊 (0/250) lwsrgr 2009-12-19 2009-12-19 18:29:03 by lwsrgr
    [Molpro/ ] 【求助】怎样找分子的同系物 15 (2/499) coco6700 2009-12-18 2009-12-19 17:03:33 by coco6700
    [Gaussian] 【求助】求学算同位素 (6/582) coco6700 2009-12-18 2009-12-19 17:02:30 by coco6700
    [量化新手 ] 【求助】弱问二氧化硅的单点能 6 (2/186) 牛乙 2009-12-19 2009-12-19 16:18:23 by csfn
    [Gaussian] 【求助】怎么安装Molden (5/1629) 8023lxj 2009-12-15 2009-12-19 16:05:03 by 15836672329
    [量化新手 ] 【求助】密度泛函理论 6 (6/1445) zhang8810 2009-12-16 2009-12-19 16:00:05 by 15836672329
    [Gaussian] 【讨论】电子能和自由能在同一反应过程中的位垒 (4/953) zhangwc5020 2009-12-16 2009-12-19 15:54:59 by 15836672329
    [Gaussian] 【讨论】TPSS(主要用于金属的泛函)讨论?    ( 1 2 ) (评阅+2) (11/2997) sculhf 2009-12-18 2009-12-19 12:08:33 by beefly
    [Gaussian] 【求助】高斯能算电离能吗 (4/1020) liudandan3767 2009-12-17 2009-12-19 10:22:47 by liudandan3767
    [Gaussian] 【讨论】如何理解双原子分子自旋密度为1 (8/1041) carlin 2009-12-15 2009-12-19 09:05:48 by wuna
    [量化新手 ] 【求助】关于活化能的问题 15 (4/1570) 牛乙 2009-12-16 2009-12-19 09:03:02 by wuna
    [Gaussian] 【原创】关于计算“镧系金属和有机配体组成配合物”的结构优化的DFT选择的一个感言 (评阅+3) (5/900) yjcmwgk 2009-12-17 2009-12-19 08:59:03 by wuna
    【求助】过渡态有不只一个虚频【gaussian03】 (评阅+1) (6/1635) 小目立 2009-09-27 2009-12-19 08:56:23 by wuna
    [Gaussian] 【求助】哪里可以搞到Linux版的Gaussian版本? (2/581) gonemrc 2009-12-18 2009-12-19 08:21:01 by gonemrc
    [Gaussian] 【求助】求助Gaussian09问题 (4/489) duanya061 2009-12-16 2009-12-18 18:47:06 by duanya061
    [Gaussian] 【求助】关于基组问题    ( 1 2 ) (16/1557) cynthia411 2009-12-16 2009-12-18 17:08:16 by yjcmwgk
    [Multiwfn] 【求助】取三个原子截面的静电势图怎么分析 (1/384) chuchu6816 2009-12-18 2009-12-18 16:46:13 by zhou2009
    [Gaussian] 【求助】求linux下的Gaussianview4下载 (1/410) rt3454l 2009-12-18 2009-12-18 15:51:42 by loovfnd
    [Gaussian] 【讨论】关于高斯的能量 (6/1074) loovfnd 2009-12-17 2009-12-18 15:26:47 by loovfnd
    [Gaussian] 【求助】优化方法比较 (9/601) 求学者@凤子 2009-12-17 2009-12-18 14:19:45 by 求学者@凤子
    [Gaussian] 【求助】请教高斯基组收敛问题 (3/935) ice_rain 2009-12-17 2009-12-18 13:37:13 by yjcmwgk
    [Gaussian] 【求助】计算分子激发态偶极矩应该用什么命令 (3/690) lmxue 2009-06-24 2009-12-18 11:15:13 by 250260882
    [Gaussian] 【求助】B3LYP/6-311++G**的校正因子? (3/526) CKX 2009-12-17 2009-12-18 09:03:02 by neweroica
    [Gaussian] 【求助】gview打不开chk文件 (5/1050) zhangwc5020 2009-12-17 2009-12-17 22:02:11 by zhangwc5020
    [Gaussian] 【量化版最重要的长期活动】各位理论高手,联合起来!    ( 1 2 3 4 ) (37/2322) yjcmwgk 2009-12-11 2009-12-17 21:30:41 by wang0912302
    [Gaussian] 【求助】g因子分析 (2/432) B.C.Wang 2009-12-16 2009-12-17 20:14:08 by recoli
    [Gaussian] 【讨论】GS优化收敛速率的问题!! (1/219) hzfish 2009-12-17 2009-12-17 18:24:06 by quantumor
    [Gaussian] 【求助】如何回复评审人的问题(用高斯计算) 9 (评阅+1) (4/1256) 新世纪 2009-12-16 2009-12-17 16:56:14 by sculhf
    [Gaussian] 【绘图】势能面上点太多,命名很是麻烦 3 (2/236) zhangwc5020 2009-12-16 2009-12-17 16:00:35 by zhangwc5020
    [Gaussian] 【求助】为什么过渡态的能量比中间体的能量低???    ( 1 2 ) (评阅+1) (11/1365) astringent 2009-12-03 2009-12-17 14:17:07 by forestwolf9291
    [其他] 【求助】有个能带间隙方面的公式不知道怎么用 (0/215) yiping177 2009-12-17 2009-12-17 13:49:45 by yiping177
    [Gaussian] 【求助】优化报错 (3/392) zhangnina626 2009-12-16 2009-12-17 13:48:30 by zhangmt
    [Multiwfn] 【求助】cube+gsgrid 电子密度值为何全为负?    ( 1 2 ) (15/1131) lifei_dut 2009-12-14 2009-12-17 10:08:10 by zlding
    [Gaussian] 【求助】关于分子筛量化计算问题 (0/177) liujodan 2009-12-17 2009-12-17 00:29:53 by liujodan
    [Gamess/ ] 【求助】FMO方法能否进行配合物轨道能级分析 1 (8/844) Jasminer 2009-11-02 2009-12-16 23:08:38 by galaxyqtm
    [Molpro/ ] 【求助】输入文件里找不到二阶力常数,请求虫友帮忙,非常感谢! (0/354) huzi233 2009-12-16 2009-12-16 21:12:02 by huzi233
    [量化图形 ] 【其他】一个漂亮的分子    ( 1 2 3 4 ) (评阅+2) (31/3217) yjcmwgk 2009-08-29 2009-12-16 16:07:36 by Joannaouc
    [个人文集] 【zhou2009个人文集】[小品]关于静电势图的展示和比较 (5/1042) zhou2009 2009-12-16 2009-12-16 11:29:29 by zhou2009
    [Gaussian] 【求助】gaussian什么版本在win下支持双核运算 (1/280) sunlong650 2009-12-16 2009-12-16 10:33:46 by sheskybird
    [Gaussian] 【求助】溶剂效应计算所需的介电常数如何确定? (4/1298) G03W 2009-12-13 2009-12-16 04:42:35 by galaxyqtm
    [版务] 【其他】《GaussianFAQ实践版》找茬活动,超级重奖 (0/243) yjcmwgk 2009-12-15 2009-12-15 22:20:48 by yjcmwgk
    [Gaussian] 【转载】Gaussian菜鸟常见问题分析 (评阅+2) (1/645) hzfish 2009-11-25 2009-12-15 21:33:51 by muchongzq
    [Gaussian] 【求助】scan出错信息求助 (3/737) chemzhh 2009-12-15 2009-12-15 21:15:43 by chemzhh
    [ChemOff ] 【求助】负电荷怎么优化输入gauss? (1/326) xiaotaozi06 2009-12-15 2009-12-15 20:56:43 by yjcmwgk
    [Gaussian] 【求助】高斯输入错误    ( 1 2 ) (10/1086) zhangnina626 2009-12-15 2009-12-15 15:10:07 by zhangnina626
    [Gaussian] 【求助】请问这个提示优化出错是什么意思 (3/783) liujie5631 2009-12-15 2009-12-15 14:33:10 by lihb734
    [其他] 【讨论】量化人的出路,请牛人指点    ( 1 2 ) (10/1477) 虫儿飞来 2009-12-14 2009-12-15 12:48:37 by Joannaouc
    [Gaussian] 【求助】激发态计算与dipole.dat关系? 15 (7/891) piaoran168 2009-12-14 2009-12-15 11:44:45 by piaoran168
    [量化新手 ] 【求助】谁有这篇文献 (3/316) dreamyeye 2009-12-14 2009-12-15 10:58:28 by dreamyeye
    [Gaussian] 【求助】SCN优化 (3/401) fcfifa2002 2009-12-14 2009-12-15 09:54:21 by sheskybird
    [Gaussian] 【求助】重复单元怎么处理? (1/254) 3867826 2009-12-14 2009-12-14 22:00:35 by ggdh
    [量化新手 ] 【求助】求助:关于DeVoe模型的原始文献 (0/169) 404975756 2009-12-14 2009-12-14 21:36:00 by 404975756
    [ADF/Dal ] 【讨论】请问 购买 高斯09软件,ADF2008,需要多少钱 (4/735) blueybz 2009-12-14 2009-12-14 21:28:07 by chuzhaonan
    [量化新手 ] 【求助】《A Chemist’s Guide to Density Functional Theory》,这本书怎么样? (4/660) yjcmwgk 2009-12-14 2009-12-14 21:27:23 by chuzhaonan
    [量化图形 ] 【求助】哪里可以下到gaussview4.0 (3/893) vallen 2009-10-07 2009-12-14 16:37:51 by rt3454l
    [Gaussian] 【求助】BSSE校正! (9/1189) hzfish 2009-12-12 2009-12-14 15:46:49 by wolfzhong
    [量化新手 ] 【求助】请问羰基和苯环之间是否有相互作用 1 (6/1072) shwenliang 2009-12-13 2009-12-14 15:35:49 by wolfzhong
    [Gaussian] 【求助】Gaussion计算中的一些问题 (3/714) shontao 2009-12-14 2009-12-14 15:30:02 by wolfzhong
    [Gaussian] 【求助】[【请问】谁知道一个可以帮助选择基组的专业网址 (5/944) wmm-11 2009-11-19 2009-12-14 14:12:04 by wmm-11
    [Gaussian] 【求助】GIAO NMR 计算求助 (5/1275) tritiger 2009-12-14 2009-12-14 12:50:27 by yjcmwgk
    [量化新手 ] 【求助】AA (评阅-2) (4/418) cuisenlin 2009-12-12 2009-12-14 12:28:56 by cuisenlin
    [量化图形 ] 【求助】gaussview怎么提交任务 (6/643) xuyawen3893 2009-06-13 2009-12-14 11:30:17 by 李敏5033
    [量化图形 ] 【求助】如何画cluster的立体图 (7/978) ling9802 2009-08-11 2009-12-14 11:18:57 by 李敏5033
    [量化图形 ] 【求助】UV-Vis拟合图是如何将离散的数据拟合成连续谱线的【已解决】 (0/214) yjcmwgk 2009-12-14 2009-12-14 10:40:53 by yjcmwgk
    [量化图形 ] 【求助】gaussview 4.1 中的紫外可见光谱结果是使用什么方程模拟出来的? (4/770) lsgan 2009-08-27 2009-12-14 10:03:33 by tritiger
    [Semi-em ] 【求助】am1能就算带电体系吗? (4/615) hbnuwangshuling 2009-12-12 2009-12-14 10:01:41 by yjcmwgk
    [Gaussian] 【求助】我想算甘油分子的静电势能 (4/593) castep 2009-12-13 2009-12-14 09:52:20 by castep
    [NBO/AIM] 【求助】怎样画NBO分析的质子转移图    ( 1 2 ) (12/2078) sweet317 2009-04-02 2009-12-14 08:25:51 by lifei_dut
    【求助】-V/T = 2.2940,合理吗?【已解决】 (5/753) 172304 2009-05-13 2009-12-14 03:53:18 by cadick
    [Gaussian] [专家] 【求助】金属配合物计算的问题 (2/675) jiewei 2009-04-20 2009-12-14 03:49:08 by cadick
    [ADF/Dal ] 【求助】ADF2006下载 (2/541) ZJboy 2009-01-04 2009-12-14 03:36:56 by cadick
    [Gaussian] 【求助】计算出错,请大侠帮忙解决。 (3/774) wfyacs 2009-12-12 2009-12-13 13:37:23 by yjcmwgk
    [Gaussian] 【求助】linux版本中有一个UBUNTU (2/204) hedge 2009-12-12 2009-12-13 08:33:00 by abbott
    [Gaussian] 【求助】gaussian03在xp系统下怎么样双核运行计算?    ( 1 2 ) (12/926) sunlong650 2009-12-11 2009-12-12 23:37:46 by tritiger
    [Gaussian] 【求助】配合物HOMO及LUMO轨道能级是不是与配合物的基态能(稳定性)有关    ( 1 2 ) (12/1497) Ado 2009-11-20 2009-12-12 22:05:46 by CKX
    [Gaussian] 【求助】【求助】这个是什么能量呀 (0/147) coco6700 2009-12-12 2009-12-12 19:35:26 by coco6700
    [Molpro/ ] 【求助】这个是什么能量呀 (2/495) coco6700 2009-12-12 2009-12-12 18:58:05 by coco6700
    [Gaussian] 【求助】溶剂化计算出错 (1/225) cjhztt 2009-12-12 2009-12-12 17:30:11 by recoli
    [Gaussian] 【求助】分子间作用计算出错,请老虫诊断.(已解决) (4/806) hzfish 2009-12-10 2009-12-12 16:57:21 by yflchx
    [量化图形 ] 【求助】GuassView里的Submit是灰的    ( 1 2 ) (评阅+1) (10/2617) shontao 2009-12-01 2009-12-12 14:58:28 by 李敏5033
    [量化图形 ] 【求助】GuassView打不开out文件 (6/1196) shontao 2009-12-05 2009-12-12 14:54:55 by 李敏5033
    [Gaussian] 【求助】急问关于IRC=restart    ( 1 2 ) (11/1919) sophia_999 2009-12-07 2009-12-12 12:42:06 by uminj
    [Gaussian] 【求助】Guassion的输入文件 (1/570) shontao 2009-12-12 2009-12-12 12:36:57 by mengfc
    【求助】高斯计算出错,请求帮助    ( 1 2 ) (评阅+1) (14/1964) oldelf 2009-08-05 2009-12-12 09:28:36 by 250260882
    【求助】优化的构型如何消去虚频 (评阅+1) (4/616) 250260882 2009-09-27 2009-12-12 09:27:12 by 906980368
    【求助】用GaussView 如何画Mulliken电荷分布图 (评阅+1) (2/1084) shontao 2009-11-01 2009-12-12 09:18:29 by liujun2006
    [Gaussian] 【分享】Introduction to Gaussian and GaussianView (13/1629) erylingjet 2008-12-19 2009-12-12 08:57:49 by zhangfl198
    [其他] 【求助】请问谁有Spartan‘08啊? (3/676) yjshjb 2009-01-16 2009-12-12 00:51:39 by ggdh
    [Gaussian] 【求助】Gaussian09 linux下的结果没法在Gview下看频率 (6/921) Jenny0428 2009-12-10 2009-12-12 00:02:07 by ggdh
    [Gaussian] 【求助】Gaussion的一些问题 (1/321) shontao 2009-12-11 2009-12-11 22:14:16 by mengfc
    [Gaussian] 【求助】怎么固定分子角度 1 (2/270) wuhaigang 2009-12-11 2009-12-11 17:16:56 by zpppanda111
    [Gaussian] 【讨论】gaussian输入文件的生成方法 (4/1295) zhanping 2009-12-10 2009-12-11 16:45:21 by gonemrc
    [量化新手 ] 【求助】求量化电子书 (3/440) dreamyeye 2009-12-10 2009-12-11 11:50:00 by lihb734
    [Gaussian] 【调查】想做个Gaussian的FAQ了。大家一起参与意见吧(回帖者均可获得金币)    ( 1 2 3 4 5 6 .. 10 ) (评阅+10) (92/4201) yjcmwgk 2009-09-22 2009-12-11 11:21:40 by sunday6392
    [Gaussian] 【求助】多核机子用g03 (7/944) jjf_sxnu 2009-12-10 2009-12-11 10:55:20 by jjf_sxnu
    [Gaussian] 【求助】gaussian 出错 (3/593) chuchu6816 2009-12-08 2009-12-11 09:59:26 by chuchu6816
    [Gaussian] 【求助】gaussian 出错 (6/640) chuchu6816 2009-12-09 2009-12-11 09:57:43 by chuchu6816
    [Gaussian] 【求助】请问一下做激发或者吸收的那个系数的问题 (0/265) NUPT 2009-12-10 2009-12-10 21:28:03 by NUPT
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