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[热点] 为什么nbs上溴 没有产物点出现呢 棉花糖骆驼 2026-01-27 刚刚
[Gaussian] [已完结]Gauss03中是不是可以在X,Y,Z三个方向上同时加电场进行计算？ (1/518) cmtang8351 2011-10-14 2011-10-15 06:37:48 by epson009
[其他] [专家] 发一个国外的博后广告。研究领域：小分子量化计算/Jahn-Teller效应 (15/3424) beefly 2011-05-05 2011-10-15 01:20:05 by nwwolfchj
[Gaussian] [已完结]求助：请问现在高斯计算的热点在哪呀，哪位大侠能告诉呀 (9/1626) woxiangfei 2011-10-09 2011-10-14 23:31:11 by woxiangfei
[Gaussian] 【求助】请教一个关于对称性破损的问题    ( 1 2 ) (17/1986) waterlily1715 2010-04-29 2011-10-14 21:40:13 by ZJboy
[Gaussian] [已完结]polyrate输入文件fu40中的vvalue是代表什么能量 (4/815) PBHU 2011-10-13 2011-10-14 21:33:55 by PBHU
[Gaussian] G09 windows下并行不如 Linux快 (评阅+2) (5/795) vallen 2011-10-12 2011-10-14 20:05:34 by 寒雨人生
[Gaussian] 有人用gaussian做过一维周期性结构的频率计算吗？ (3/885) sunyulong 2011-10-08 2011-10-14 20:05:13 by linyanglin
[NBO/AIM] [已完结]NBO输出解析 (1/462) 会飞的种子 2011-10-14 2011-10-14 19:36:01 by luolun2008
[Gaussian] [已完结]关于高斯计算用的服务器内存的选择 (4/1450) voleyes 2011-10-14 2011-10-14 12:52:19 by springxa
[HyperCh ] [已完结][关贴]求助用HyperChem计算一个有机分子的各项参数 (0/795) 学员uBZzff 2011-10-14 2011-10-14 11:08:49 by 一米阳光yzw
[NBO/AIM] [关贴]mp2的scf密度nbo分析 (3/863) tiechong 2011-10-12 2011-10-14 10:49:54 by beefly
[Gaussian] [已完结]关于计算电离能的一点疑问 (2/807) cug_zhang 2011-10-13 2011-10-14 08:42:29 by wangth0921
[Linux应 ] [已完结]运行任务Killed (6/1307) xj544 2011-06-30 2011-10-14 08:36:22 by xj544
[Gaussian] [已完结]高斯优化，为啥不收敛？ (3/859) emmaxue 2011-10-12 2011-10-14 08:28:18 by manson1998
[Gaussian] OINOM计算中amber力场 (0/368) astringent 2011-10-14 2011-10-14 06:57:14 by astringent
[Gaussian] [已完结]Density-of-states spectra（DOS）该怎么算？ (3/1409) A-303 2011-10-12 2011-10-13 23:47:19 by meteoric30
[Gaussian] Gaussian氢键如何构建 (0/785) fsh3175 2011-10-13 2011-10-13 23:09:26 by fsh3175
[Gaussian] [已完结]Gaussian几何优化后的键长不合理    ( 1 2 3 4 5 ) (41/3291) jianqin 2011-07-15 2011-10-13 14:24:54 by yzwyxnb
[量化新手 ] [已完结]Gaussview构建结构 (6/1343) zangnaduoduo 2011-10-12 2011-10-13 11:08:56 by zangnaduoduo
[其他] 投稿杂谈 (4/557) gmy1990 2011-10-12 2011-10-13 09:52:42 by gmy1990
[Gaussian] [已完结]Cubegen 命令使用不对 (3/2091) 1a1a11a 2011-10-12 2011-10-13 09:14:51 by zhou2009
[Gaussian] [已完结]求助：gaussian算NBO时候，出现提示severer error message # 2070 (2/3407) wynli 2011-10-12 2011-10-13 08:39:49 by wynli
[Gaussian] [已完结]高斯计算，买服务器的疑问 (4/1180) vallen 2011-10-12 2011-10-12 22:53:08 by hairan
[量化新手 ] [已完结]Band Gap 和 HOMO-LUMO Gap的区别在哪里？ (1/1036) lywiailyw 2011-10-09 2011-10-12 21:29:03 by 小虫迷
[其他] [已完结]量子化学考博参考资料及试题 (0/407) wxb711320 2011-10-12 2011-10-12 18:29:05 by wxb711320
[Gaussian] [已完结]求高斯输出文件中得到各个键的力常数的easyinp和shrink程序 (1/572) abin007 2011-10-10 2011-10-12 16:24:15 by budgerigar
[Gaussian] [已完结]请求大家发给我一份g03e01-linux 64位的gaussian软件 (8/1347) budgerigar 2011-10-07 2011-10-12 16:18:11 by budgerigar
[Gaussian] [已完结]windows下高斯批处理batch第一个任务失败后怎么继续运行？ (1/545) vallen 2011-10-12 2011-10-12 11:13:23 by 冬天里的骄阳
[Gaussian] 【求助】急！溶剂化老出错，有关SCRF=read    ( 1 2 ) (10/1890) ppshanshanqiu 2010-03-25 2011-10-12 11:12:48 by mscic
[Turbomo ] 【求助】TURBOMOLE作基态构型优化时失败 (4/1229) phoenixydp 2010-08-31 2011-10-12 10:31:29 by lipeiling
[Gaussian] [已完结]高斯在双路服务器下并行需要装linda吗？ (5/850) vallen 2011-10-10 2011-10-12 08:58:01 by yqzhang6518
[Molpro/ ] [已完结][关贴]Dissociation energy for the ground state of AlO from true potential energy curve (1/367) 郎建华 2011-10-11 2011-10-11 21:52:25 by physics7778
[Gaussian] [已完结]Gaussian中的半经验方法和MM方法 (2/1833) helitrope 2011-09-25 2011-10-11 21:30:51 by beefly
[Gaussian] [已完结]高斯中有关亲水疏水结合能问题 (0/655) xiaowuxian 2011-10-11 2011-10-11 16:27:30 by xiaowuxian
[Gaussian] [已完结]想问下GUASSIAN里cpcm，sci-pcm，ipcm模型之间的差别 (0/1580) 饭饭316 2011-10-11 2011-10-11 16:19:50 by 饭饭316
[Gaussian] [已完结]Gview画结构输入Gaussian进行结构优化怎么结构没有明显的变化？ (3/1330) sprinaiv 2011-09-28 2011-10-11 15:27:06 by sprinaiv
[ADF/Dal ] [已完结]范德瓦尔斯力-密度泛函（Van der Waals density functional） (6/2407) gjh123 2011-10-08 2011-10-11 13:35:10 by 043114076
[Gaussian] 【转载】原来windows版本的gaussian也有并行版了 (1/401) tiechong 2010-07-21 2011-10-11 11:22:11 by xwy1027
[其他] 【其他】chemcraft的版权问题 (6/1805) tiechong 2010-10-02 2011-10-11 10:45:38 by lipeng87
[Gaussian] [已完结]求助crcl2和crcl3自旋多重度问题 (1/974) sdu_x 2011-10-10 2011-10-11 00:32:17 by beefly
[量化新手 ] [已完结]寻求帮助，给予指点 (1/256) qshwyz 2011-10-10 2011-10-10 22:59:47 by liyb-cas
[其他] [已完结][关贴]分子动力学直径 (0/1763) tcmtang2001 2011-10-09 2011-10-10 22:04:25 by tcmtang2001
[Gaussian] [已完结]求救 啊 (0/175) 熊猫宝贝 2011-10-10 2011-10-10 20:58:10 by 熊猫宝贝
[量化新手 ] [已完结]如何通过能量的Boltzman统计平均计算出分子的性质？    ( 1 2 ) (11/1206) rxqcpu 2011-10-01 2011-10-10 20:05:46 by rxqcpu
[Gaussian] [已完结]计算复合物能量高于两个单体能量之和怎么办？ (3/550) seastar858 2011-10-08 2011-10-10 17:09:53 by wangth0921
[Gaussian] [已完结]一个弱弱的关于gaussian的问题 (0/314) cucina_hu 2011-10-10 2011-10-10 17:03:26 by cucina_hu
[Gaussian] [已完结]反应平衡常数 与 反应速率常数 (5/1995) biaoxuetj 2011-10-07 2011-10-10 15:32:21 by biaoxuetj
[Gaussian] [已完结][关贴]文献 (0/190) 李倩1986 2011-10-10 2011-10-10 11:17:01 by 李倩1986
[Gaussian] [已完结]阴阳离子间是不是还存在着O-H氢键，请问怎么用Gaussian能看出来 (4/1183) 人生如曲 2011-10-06 2011-10-10 09:23:18 by qianyang
[Gaussian] [已完结]紧急求助!!! (1/355) yuanwei0007 2011-10-09 2011-10-09 21:38:07 by 小红豆
[Turbomo ] [已完结]ORCA中辅助基组的问题--双辅助基组是否增加计算精度？ (0/1128) jianqin 2011-10-09 2011-10-09 21:36:26 by jianqin
[其他] [已完结]想请教一下关于自选多重度守恒的概念 (1/324) 雾溪之魅 2011-10-09 2011-10-09 15:26:21 by dingniu2
[Gaussian] HOMO-LUMO告诉我们什么 (7/1254) sunzhiguo 2011-10-08 2011-10-09 13:55:12 by sunzhiguo
[Gaussian] 相互作用：焓变、熵变等值 (0/474) 568268771 2011-10-09 2011-10-09 12:43:49 by 568268771
[其他] [关贴]给熟人们发些金币。。。（每人5个，1人1次） (11/653) 09cj513 2011-10-09 2011-10-09 12:25:34 by 0610410163
[Gaussian] [已完结]新手求助 (6/558) geniusew 2011-10-06 2011-10-09 11:51:46 by MVP41
[Gaussian] [已完结]在计算超极化率时，要不要加nosymm? (1/299) A-303 2011-10-09 2011-10-09 11:03:53 by yongleli
[Gaussian] [已完结]好困惑，求帮忙！！！ (0/200) haiyanzou 2011-10-09 2011-10-09 10:47:04 by haiyanzou
[Gaussian] [已完结]求教组建小型cluster的硬件配置 (3/498) vallen 2011-10-08 2011-10-09 09:46:14 by abbott
[量化新手 ] [已完结]一个文献中使用的符号的问题 (4/1181) lywiailyw 2011-10-08 2011-10-08 22:19:12 by daiyulan85
[Gaussian] [已完结]HF能量a.u.与电子伏特eV的换算关系 (7/9495) fegnzaixie 2011-08-15 2011-10-08 22:16:25 by chemstar
[Gaussian] [已完结]Wibery指数如何计算 (0/326) wynli 2011-09-21 2011-10-08 20:19:38 by wynli
[量化新手 ] 如果想计算pi-pi stacking的结合能，在MS中用什么力场比较好呢？ (0/676) kingswordscu 2011-10-07 2011-10-08 20:19:14 by kingswordscu
[Gaussian] [已完结]高斯用的电脑配置问题 (5/1142) vallen 2011-08-18 2011-10-08 17:07:13 by vallen
[Gaussian] [已完结]Error termination via Lnk1e in /home/gauss/g03/l906怎么办？ (1/519) 461018249 2011-10-08 2011-10-08 15:56:28 by zln1987
[Gaussian] [已完结]轨道分析求助 (2/607) convenient 2011-10-04 2011-10-08 14:28:09 by jiewei
[Gaussian] [已完结]有关ＮＢＯ计算的问题 (0/190) liangyh 2011-09-20 2011-10-08 14:25:55 by liangyh
[Gaussian] [已完结]Hg2+配合物能量计算用什么方法好 (1/307) 雨晨田木 2011-10-01 2011-10-08 14:21:51 by smile7335
[NBO/AIM] [专家] 【原创】NBO2MOLDEN：把NBO图形文件转化为MOLDEN格式的工具 (4/1767) beefly 2010-01-13 2011-10-08 11:11:13 by emmaxue
[Gaussian] 【求助】请gaussian高手求助！(VIE 值怎么算啊？) (1/291) terry52112 2011-01-20 2011-10-08 11:05:49 by emmaxue
[Gaussian] AlOH自选多重度的设置 (评阅+1) (2/545) yangjun102 2011-09-21 2011-10-08 08:49:44 by clszdy
[Gaussian] [已完结]关于金属配合物的计算 (3/797) voleyes 2011-10-04 2011-10-08 00:46:02 by vallen
[Gaussian] [已完结][关贴]通过高斯能比较硝基 羟基的亲核性吗？ 怎么比较 有哪些判据 谢谢 (3/803) biaoxuetj 2011-07-01 2011-10-07 22:41:12 by biaoxuetj
[Gaussian] [已完结]请问关于Gauss03中如何进行NICS扫描的计算 (1/619) cmtang8351 2011-10-07 2011-10-07 20:15:21 by lihb734
[量化新手 ] [已完结]请问一个入门的问题，请各位大侠帮忙 (1/411) listarstar 2011-09-14 2011-10-07 15:54:15 by yjr
[Gaussian] [已完结]运用高斯软件来计算能量 (1/1108) cps0301 2011-09-20 2011-10-07 15:43:04 by chemstar
[量化图形 ] [已完结][关贴]求助molden windows软件 (4/1442) 医无止境 2011-09-15 2011-10-07 12:03:19 by 医无止境
[Gaussian] [已完结]请教g03的问题 (2/408) kwit 2011-10-06 2011-10-07 10:41:15 by zhou2009
[其他] 量子化学投稿问题 (4/557) tsing2009 2011-10-06 2011-10-07 08:25:54 by wangth0921
[Gaussian] [已完结]Gaussian 09 win版平行化問題 (2/402) superAchung 2011-10-06 2011-10-07 08:12:43 by 小虫迷
[Gaussian] [已完结]请教中间体寻找优化问题    ( 1 2 ) (14/1622) 游子8921 2011-09-27 2011-10-07 00:43:51 by voleyes
[Gaussian] [已完结]求高斯td计算紫外的问题    ( 1 2 ) (评阅+14) (16/1881) luntanyh 2011-09-20 2011-10-06 22:36:52 by luntanyh
[Gaussian] [已完结]GAUSSIAN计算离子化合物的问题 (3/1484) luntanyh 2011-08-15 2011-10-06 22:35:49 by luntanyh
[Gaussian] [已完结]溶剂化效应中偶极矩常数和介电常数有什么区别呢 (0/1526) lfengxia82 2011-09-21 2011-10-06 18:47:14 by lfengxia82
[Gaussian] [已完结]用gaussian优化结构时停在performing berny optimization (3/1347) chemstar 2011-10-06 2011-10-06 17:56:29 by 冬天里的骄阳
[Gaussian] [已完结]求高手解答gaussian 练习题8-7 (0/205) Aron_Jobs 2011-10-06 2011-10-06 00:00:34 by Aron_Jobs
[Gaussian] [已完结]关于gaussion09和03计算irc的问题 (3/1367) 前世飞儿 2011-09-14 2011-10-05 22:10:05 by ltscu
[Gaussian] 能量非最低，但无虚频 (4/472) chunchi77726 2011-10-05 2011-10-05 22:06:28 by yjcmwgk
[其他] [已完结][关贴]Theoretical Chemistry Accounts杂志投稿 (5/1410) x7511413 2011-10-05 2011-10-05 20:30:21 by yflchx
[Gaussian] [已完结]如何理论模拟计算比较两个还原反应的电极电位的大小 (1/303) kzyl 2011-10-04 2011-10-05 14:32:39 by kzyl
[量化新手 ] Darn it! Magnesium-porphyrin. (1/415) gmy1990 2011-10-04 2011-10-05 09:36:28 by gmy1990
[其他] [已完结][关贴]求助印刷版JPCB (4/512) zln1987 2011-09-30 2011-10-05 08:01:24 by zln1987
[Gaussian] [已完结]有关O=S=O的OPT优化    ( 1 2 ) (14/1388) scottfreedom 2011-09-30 2011-10-04 17:37:08 by scottfreedom
[其他] [已完结]晶体结构里面有其他分子 (3/975) yxk8712 2011-09-20 2011-10-04 12:49:56 by youshihou3802
[Gaussian] CentOS 5.7 安装 g03e01-em64t-for_linux 问题 (1/313) xiaojun2010 2011-10-03 2011-10-04 04:20:59 by yongma2008
[Gaussian] [已完结]气化焓 (1/327) liupeipei 2011-09-27 2011-10-04 01:02:11 by wangth0921
[Gaussian] 【求助】急！有研究灭火剂灭火机理，用到高斯吗？ (5/1040) vipxj 2011-04-11 2011-10-04 00:47:44 by wangth0921
[Gaussian] [已完结]计算两个分子相互作用    ( 1 2 ) (14/2438) Illusionist 2011-09-29 2011-10-03 16:33:44 by jiewei
[Gaussian] [已完结]求助 ：频率计算死在了L1002，怎么回事啊？ (4/912) A-303 2011-09-29 2011-10-03 08:41:01 by cxyuan09
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