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    [热点] 2026博士申请-功能高分子,水凝胶方向 小心小熊 2025-12-06 刚刚
    [ChemOff ] 【求助】chem3D 中的分子轨道计算可行吗,EHOMO和ELUMO是怎么看的 (7/1569) flyskysky 2009-02-07 2009-12-29 21:28:41 by sculhf
    [Gaussian] 【求助】基组的选择(有奖励) 1 (7/985) 313588908 2009-12-26 2009-12-29 15:54:35 by sculhf
    [量化新手 ] 【求助】BDE, Binding Energy (3/590) G03W 2009-12-25 2009-12-29 15:16:42 by llhxaustin
    [Gaussian] 【求助】liux安装已编译好的gaussian (6/772) yyx19840628 2009-12-28 2009-12-29 13:36:38 by yyx19840628
    [Gaussian] 【求助】硫酸根(so42-)的电荷与自旋多重度 (8/1227) zzhenry 2009-12-21 2009-12-29 11:33:41 by yflchx
    [Gaussian] 【求助】运行gaussian时应用程序出错 (4/369) yxddaisy 2009-12-28 2009-12-29 09:57:53 by yjcmwgk
    [Multiwfn] 【求助】尖晶石结构 (0/391) fljfly 2009-12-29 2009-12-29 08:15:31 by fljfly
    [Gaussian] 【求助】无机盐有没有能量 (3/372) tigermartinwang 2009-12-28 2009-12-29 08:12:54 by fljfly
    [Gaussian] 【求助】gaussian输出结构问题 (5/371) zhanping 2009-12-26 2009-12-28 21:39:21 by zhanping
    [Gaussian] 【求助】mp2计算分割rwf和chk文件时的问题 (4/928) huangshp 2009-12-28 2009-12-28 21:33:32 by huangshp
    [其他] [关贴]【求助】excel+技术问题 (1/133) 3867826 2009-12-28 2009-12-28 18:07:37 by 3867826
    [Gaussian] 【求助】关于casscf方法计算激发态的活性空间选择 (1/1073) ldongmei 2009-12-28 2009-12-28 17:48:02 by coolrainbow
    [Gaussian] 【求助】dissociation energy D0在是离子情况下时其公式是什么? 10 (0/125) shenhaige 2009-12-28 2009-12-28 14:32:29 by shenhaige
    [其他] 【分享】硕士量化复习提纲 (1/392) wubin0911 2009-12-27 2009-12-28 14:19:33 by zpppanda111
    [NBO/AIM] 【讨论】Mayer键级 (评阅+1) (7/1532) zhangwc5020 2009-11-24 2009-12-28 14:04:39 by beefly
    [NBO/AIM] 【讨论】NBO的版面不太活跃 (9/620) zhangwc5020 2009-12-26 2009-12-28 13:59:26 by yytsnake
    [其他] [专家] 【资源】下载Scigress Explorer(以前叫Cache Workstation) (评阅+5) (1/768) beefly 2009-12-27 2009-12-28 13:43:46 by ggdh
    [Gaussian] 【求助】运行高斯出错,大家帮忙看看怎么回事吧! (6/1710) yfw7210 2009-12-28 2009-12-28 13:40:20 by ggdh
    [Gaussian] 【求助】Gaussian计算拉曼出错 (5/833) xiekf1985 2009-10-05 2009-12-28 11:26:27 by 蔷薇ww
    [Gaussian] 【求助】TD 2 (1/198) lengyan2723 2009-12-28 2009-12-28 10:49:41 by gaoxiaoli
    [Gaussian] 【求助】做发光材料计算,用高斯软件用什么配置服务器 1 (4/689) ylwang88 2009-12-21 2009-12-28 09:51:55 by yanmingsun18
    [Gaussian] 【求助】在用mp2对H做频率计算时,总出错! (1/364) yu10230612 2009-12-28 2009-12-28 09:33:07 by yjcmwgk
    [量化新手 ] 【讨论】问问 Hartree Fock 计算 关于基态的问题 (1/243) pizi7880 2009-12-25 2009-12-28 01:58:25 by wolfzhong
    [其他] 【求助】two-band Eliashberg equations 计算 (超导) (0/170) lwx098 2009-12-28 2009-12-28 01:42:54 by lwx098
    [Gaussian] 【求助】请教关于零点能校正的问题 3 (3/1725) aaq2800 2009-12-26 2009-12-28 01:37:13 by wolfzhong
    [Gaussian] 【求助】自己实在搞不定,希望大家帮忙,l804无限出错    ( 1 2 ) (18/1287) purewater2715 2009-12-21 2009-12-27 18:21:39 by wang0912302
    [Gaussian] 【求助】请问要让Gaussian写双电子积分文件.int,要设置什么IOP或Keyword 5 (3/292) sandf 2009-12-27 2009-12-27 18:15:35 by sandf
    [Gaussian] 【求助】高斯罢工了,这是为什么呢?    ( 1 2 ) (13/827) tigermartinwang 2009-12-26 2009-12-27 16:27:32 by 王中学
    [Gaussian] 【求助】输出结果不同 5 (4/368) 李敏5033 2009-12-27 2009-12-27 16:11:41 by 李敏5033
    [Gaussian] 【求助】计算结果不同 (0/227) 李敏5033 2009-12-27 2009-12-27 16:06:12 by 李敏5033
    [Gaussian] 【求助】64bit的g03w具体有什么版本的啊 (4/431) yanmingsun18 2009-12-26 2009-12-27 12:17:40 by houjian
    [其他] 【讨论】机器购置问题? (1/186) nwwolfchj 2009-12-26 2009-12-27 09:08:41 by abbott
    [Gaussian] 【讨论】编辑脚本,批量处理文件 (6/877) zhangwc5020 2009-12-09 2009-12-26 22:20:43 by abbott
    [Gaussian] 【求助】高斯运行错误 (8/503) zhangnina626 2009-12-25 2009-12-26 20:56:27 by zhangnina626
    [Gaussian] 【求助】Guassion输入文件 (4/496) shontao 2009-12-26 2009-12-26 19:59:28 by erylingjet
    [Gamess/ ] 【求助】scf has not converged    ( 1 2 ) 1 (10/2111) weixp2008 2009-10-23 2009-12-26 17:31:28 by weixp2008
    [其他] 【求助】pbe0-HOMO 24 (3/593) xiayunju9195 2009-12-25 2009-12-26 16:33:49 by xiayunju9195
    [Gaussian] 【求助】Gaussian计算时的一些问题 (1/185) shontao 2009-12-26 2009-12-26 16:07:20 by yjcmwgk
    [Gaussian] 【求助】金属配位,为什么结构总是跑掉 (4/578) 313588908 2009-12-26 2009-12-26 13:09:50 by 313588908
    [NBO/AIM] [专家] 【讨论】用Molden软件画NBO的设想 (0/650) beefly 2009-12-26 2009-12-26 12:41:36 by beefly
    [Gaussian] 【求助】计算溶剂效应出现如下错误怎么办? 10 (4/387) maruimin 2009-12-25 2009-12-26 09:00:08 by cjhztt
    [Gaussian] 【求助】如何用对称性破损方法计算配合物的磁耦合相互作用 5 (1/263) gaohongmei128 2009-12-25 2009-12-26 06:09:35 by galaxyqtm
    [Semi-em ] 【求助】这是什么错误? NUMERICAL EIGENVECTOR FOLLOWING MINIMUM SEARCH (5/1013) hbnuwangshuling 2009-12-23 2009-12-26 00:21:36 by beefly
    [Gaussian] 【讨论】[讨论]请问下有关IRC的问题 (3/525) 友风 2009-12-07 2009-12-25 19:52:55 by 友风
    [Gaussian] 【求助】求救关于命令错误问题 (8/973) liujodan 2009-12-24 2009-12-25 16:58:55 by liujodan
    [Gaussian] 【求助】[求助]请问用gaussian程序能用对称性破损方法计算配合物的磁耦合相互作用 9 (0/234) gaohongmei128 2009-12-25 2009-12-25 16:34:57 by gaohongmei128
    [Gaussian] 【求助】BLYP/B2LYP/B3LYP (9/2073) littlemei 2009-10-12 2009-12-25 16:28:21 by yjcmwgk
    [Gaussian] 【求助】电荷与自旋多重度问题 (6/552) zzhenry 2009-12-22 2009-12-25 15:53:41 by yjcmwgk
    [Gaussian] 【求助】GuassView--如何对不同原子分配不同基组 2 (4/988) siom5795 2009-12-24 2009-12-25 15:53:02 by yjcmwgk
    [Gaussian] 【求助】晶格取代能量计算 (3/376) hedonistful 2009-12-24 2009-12-25 13:28:46 by hedonistful
    [Gaussian] 【求助】关于IRC的一些特殊问题 (0/249) G03W 2009-12-25 2009-12-25 13:08:12 by G03W
    [Gaussian] 【讨论】轨道分析 (6/943) zhangwc5020 2009-12-24 2009-12-25 12:48:17 by yjcmwgk
    [ADF/Dal ] 【讨论】ADF的应用及计算的体系 (9/1085) ZJboy 2009-01-06 2009-12-25 10:41:27 by gaoxiaoli
    [Gaussian] 【求助】高斯中怎么算force constants? (3/901) flypig1103 2009-12-23 2009-12-25 10:00:32 by sophia_999
    [其他] 【求助】请教f电子轨道的角度分布图 (3/391) wbt11129 2009-12-24 2009-12-25 09:54:45 by wbt11129
    [Gaussian] 【求助】如何在32位机器上打开64位机器上算的chk文件 (3/508) liweiyi123456 2009-12-24 2009-12-25 09:12:12 by hzfish
    [Gaussian] 【求助】电化学催化 (3/466) jghe 2009-12-08 2009-12-25 09:07:49 by 文新宇
    [量化新手 ] 【资源】RSC的TDDFT专刊 (+1) (评阅+2) (8/770) llhxaustin 2009-12-23 2009-12-24 21:28:43 by wangjbest
    [其他] 【转载】分割zinc分子数据库的ZincSplit0.4 (8/1384) javacfish 2009-10-10 2009-12-24 20:22:16 by userhung
    [其他] 【分享】WebMO version 10.0 (评阅+3) (4/1106) yalefield 2009-12-22 2009-12-24 15:17:03 by erylingjet
    [Gaussian] 【求助】离子的分裂能怎么算 10 (0/214) shenhaige 2009-12-24 2009-12-24 13:52:39 by shenhaige
    [Gaussian] 【求助】关于小基组的问题 (4/367) qida 2009-12-23 2009-12-24 11:12:41 by yjcmwgk
    [Gaussian] 【求助】Gaussian如何对某一方向施加压力 (4/553) zlding 2009-12-21 2009-12-24 10:50:23 by yflchx
    [Gaussian] [专家] 【求助】算H键的泛函有哪些    ( 1 2 ) (15/945) ggdh 2009-12-11 2009-12-23 22:12:04 by spring965
    [Gaussian] 【求助】实验文献中两种产率表示的区别 2 (0/225) zhangwc5020 2009-12-23 2009-12-23 20:23:55 by zhangwc5020
    [Gaussian] 【求助】在做TDDFT计算时如何得到激发态的总电荷密度 (4/659) oldpig 2009-12-21 2009-12-23 17:36:52 by zhou2009
    [量化新手 ] 【讨论】Win版高斯并行?    ( 1 2 ) (11/587) erylingjet 2009-12-19 2009-12-23 17:16:30 by yjcmwgk
    [Gaussian] 【求助】关于用高斯计算同位素的问题 3 (4/590) vallen 2009-12-23 2009-12-23 15:40:44 by llhxaustin
    [ChemOff ] 【求助】chem3D中原子与前线电子密度对应问题 (4/491) mengxiang9251 2009-12-21 2009-12-23 10:40:42 by mengxiang9251
    [Gaussian] 【求助】gaussian频率计算输出单位 (0/228) zhanping 2009-12-23 2009-12-23 10:38:39 by zhanping
    [Gaussian] 【求助】gaussian IRC 问题 (4/1073) niuml 2009-12-10 2009-12-23 09:41:22 by niuml
    [Gaussian] 【求助】使用gaussian结合态求和(SOS)方法计算超极化率,关键词该怎样写? (2/449) xuxiuhong2002 2009-12-20 2009-12-22 22:39:54 by ggdh
    [Gaussian] 精华I【原创】高斯交流QQ群中,比较有意义的25次讨论(总结帖)    ( 1 2 ) (53/3026) yjcmwgk 2009-06-29 2009-12-22 22:07:33 by qqpie
    [Gaussian] 【求助】gaussian输出    ( 1 2 ) 1 (10/1154) yxddaisy 2009-12-21 2009-12-22 21:38:45 by zhangwc5020
    [Gaussian] 【求助】RSSE矫正 (金币≥10)(3/59) 求学者@凤子 2009-12-22 2009-12-22 20:56:39 by 求学者@凤子
    [HyperCh ] 【求助】请教高手!怎样使用hyperchem画金属络合物? (2/405) xiaoxian07 2009-12-21 2009-12-22 19:55:24 by ggdh
    [量化新手 ] 【求助】关于自旋密度 (3/592) G03W 2009-12-21 2009-12-22 19:38:08 by ggdh
    [Gaussian] [关贴]【求助】求助一篇文献 (1/260) zhaolz 2009-12-22 2009-12-22 18:19:42 by aylayl08
    [Gaussian] 【求助】gaussian 不报错自动退出问题 (3/660) xner 2009-12-22 2009-12-22 13:42:37 by yjcmwgk
    [Gaussian] 【求助】高斯out文件中的单位    ( 1 2 ) (12/931) zhumenjun 2009-12-18 2009-12-22 13:19:54 by zhangmt
    [Gaussian] 【求助】用Gaussian能否计算Curvature?能的话,怎样计算?谢谢! (5/504) LuPeng5366 2009-12-18 2009-12-22 13:13:11 by beefly
    [Gaussian] 【求助】5个金币求EPR的算法 5 (1/252) grape_0805 2009-12-21 2009-12-22 11:17:12 by grape_0805
    [个人文集] 【zhou2009个人文集】[小品] 关于Ψ(MO)的归一问题 (2/1600) zhou2009 2009-12-21 2009-12-21 22:25:31 by wolfzhong
    [Gaussian] 【求助】谁能讲一下SAC-CI的用法? 5 (7/646) vallen 2009-12-04 2009-12-21 21:03:37 by nwwolfchj
    [其他] 【经验】做了N久的过渡态就是过不去。。 (1/172) 3867826 2009-12-21 2009-12-21 20:51:27 by 狼外婆
    [其他] 【求助】酯化反应带水剂问题 (2/315) linhuier126 2009-03-19 2009-12-21 19:20:37 by ggdh
    [量化新手 ] 【求助】gaussion 计算时914为什么过不去? (1/124) wanglizhenbest 2009-12-21 2009-12-21 18:29:20 by ggdh
    [Gaussian] 【求助】前线轨道理论里面的一些概念 (2/375) shontao 2009-12-20 2009-12-21 17:51:28 by yanmingsun18
    [Gaussian] 【求助】Gaussian计算的输入文件    ( 1 2 ) (11/1234) shontao 2009-12-18 2009-12-21 17:29:34 by yanmingsun18
    [量化新手 ] 【求助】各种不同计算方法的介绍和优缺点 (7/929) huangshp 2009-06-26 2009-12-21 16:41:48 by yjcmwgk
    [量化新手 ] 精华I【求助】征求关于能量选择的问题(30金币)    ( 1 2 ) (11/1655) G03W 2009-12-17 2009-12-21 14:24:47 by G03W
    [Gaussian] 【求助】求助, (评阅-2) (3/225) ylwang88 2009-12-20 2009-12-21 13:45:35 by abbott
    [Gaussian] 【求助】高斯计算电荷分布,出现问题(急) (5/697) nuaa8222 2009-12-20 2009-12-21 11:25:03 by zhangmt
    [Gaussian] 【求助】怎么计算出物质的荧光发射谱? (7/902) huixu7276 2009-12-18 2009-12-21 09:55:39 by loovfnd
    [量化新手 ] 【求助】做发光材料计算体系,用高斯软件需要买什么型号的电脑?tabindex= (0/270) ylwang88 2009-12-21 2009-12-21 09:13:26 by ylwang88
    [Gamess/ ] 【求助】Gaussian输入文件转换的 (5/835) shontao 2009-12-20 2009-12-21 09:12:43 by yjcmwgk
    [Gaussian] 【求助】Gaussian计算中的错误 (5/424) shontao 2009-12-20 2009-12-20 16:38:03 by yjcmwgk
    [Gaussian] 【求助】计算机配置问题    ( 1 2 ) (15/635) yanmingsun18 2009-12-14 2009-12-20 15:09:38 by yanmingsun18
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