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[热点] 285求调剂 AZMK 2026-04-03 刚刚
[Gaussian] [已完结]HF能量a.u.与电子伏特eV的换算关系 (7/9655) fegnzaixie 2011-08-15 2011-10-08 22:16:25 by chemstar
[Gaussian] [已完结]Wibery指数如何计算 (0/335) wynli 2011-09-21 2011-10-08 20:19:38 by wynli
[Gaussian] [已完结]高斯用的电脑配置问题 (5/1219) 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？ (1/530) 461018249 2011-10-08 2011-10-08 15:56:28 by zln1987
[Gaussian] [已完结]轨道分析求助 (2/631) convenient 2011-10-04 2011-10-08 14:28:09 by jiewei
[Gaussian] [已完结]有关ＮＢＯ计算的问题 (0/197) 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 (1/316) 雨晨田木 2011-10-01 2011-10-08 14:21:51 by smile7335
[Gaussian] 【求助】请gaussian高手求助！(VIE 值怎么算啊？) (1/311) 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) (2/561) 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 (3/823) 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 (3/825) 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 (1/635) cmtang8351 2011-10-07 2011-10-07 20:15:21 by lihb734
[Gaussian] [已完结]运用高斯软件来计算能量 (1/1116) cps0301 2011-09-20 2011-10-07 15:43:04 by chemstar
[Gaussian] [已完结]请教g03的问题 (2/429) kwit 2011-10-06 2011-10-07 10:41:15 by zhou2009
[Gaussian] [已完结]Gaussian 09 win版平行化問題 (2/422) 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 ) (14/1700) 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) (16/1994) 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 (3/1523) 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 (0/1536) 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 (3/1380) 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 (0/215) 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 (3/1405) 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 (4/517) chunchi77726 2011-10-05 2011-10-05 22:06:28 by yjcmwgk
[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 (1/314) kzyl 2011-10-04 2011-10-05 14:32:39 by kzyl
[Gaussian] [已完结]有关O=S=O的OPT优化    ( 1 2 ) (14/1468) scottfreedom 2011-09-30 2011-10-04 17:37:08 by scottfreedom
[Gaussian] CentOS 5.7 安装 g03e01-em64t-for_linux 问题 (1/334) xiaojun2010 2011-10-03 2011-10-04 04:20:59 by yongma2008
[Gaussian] [已完结]气化焓 (1/334) 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？ (5/1097) 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 ) (14/2494) 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？ (4/942) A-303 2011-09-29 2011-10-03 08:41:01 by cxyuan09
[Gaussian] [已完结]用高斯计算时，如果不优化，只计算单点能，那么键长以及键角会发生改变吗？ (2/1533) hxtlc 2011-09-28 2011-10-02 00:19:56 by chiweijie
[Gaussian] [已完结]Gaussianview 画图时坐标如何固定 (1/406) 会飞的种子 2011-09-29 2011-10-01 23:05:54 by voleyes
[Gaussian] [已完结]请教金属的价态和电荷以及多重度的关系 (2/458) voleyes 2011-09-29 2011-10-01 00:29:24 by vallen
[Gaussian] [已完结]求助 ：CP-DFT与CP-HF计算超极化率二者的区别？ (0/710) A-303 2011-09-30 2011-09-30 15:52:29 by A-303
[Gaussian] [已完结]在重优化过程中出现错误，求解 (1/259) keaiweiwei 2011-09-29 2011-09-30 13:57:53 by 雨晨田木
[Gaussian] [已完结]能不能用b3lyp算能量，用mp2算BSSE呢？ (3/698) 雨晨田木 2011-09-29 2011-09-30 13:39:25 by 雨晨田木
[Gaussian] [已完结]两个问题求教1.文献中所说unsaturated basis set，2.oniom中分层，基函数 (1/488) 亍寞 2011-07-03 2011-09-30 11:27:05 by lion0528
[Gaussian] 【求助】formchk出错    ( 1 2 3 ) (23/2549) 越走越远 2010-06-09 2011-09-29 10:52:43 by emmaxue
[Gaussian] 【讨论】SDD的输入问题 (3/845) 3867826 2010-09-02 2011-09-28 11:37:07 by ZJboy
[Gaussian] 量子化学半经验方法的缩写和全称对照(Updated 2010-APR-3)（转载） (2/642) yxk8712 2011-09-22 2011-09-28 08:35:33 by yxk8712
[Gaussian] [已完结]Gaussian算吸收光谱出错问题请教 (8/1600) 晓玉儿 2011-09-26 2011-09-28 08:23:19 by 晓玉儿
[Gaussian] [已完结]求gaussview的linux版及安装指导谢谢 (1/2045) 幽田双净 2011-09-27 2011-09-27 19:01:14 by wuy069
[Gaussian] [已完结]Gaussian使用中的问题 (1/252) lywiailyw 2011-09-27 2011-09-27 18:59:41 by yongma2008
[Gaussian] [已完结]求助机理 (1/290) happy111839 2011-09-27 2011-09-27 15:47:56 by sprinaiv
[Gaussian] （新手）用Gaussian算吸收谱的具体步骤 (0/407) 751596048 2011-09-27 2011-09-27 10:29:34 by 751596048
[Gaussian] [已完结]Gassian找出过渡态来有做动力学数据 (2/855) 314202528 2011-06-01 2011-09-27 10:24:30 by xj544
[Gaussian] [已完结]先出现2070错误，又出现2061错误 (1/267) beipiao616 2011-09-27 2011-09-27 09:15:15 by lihb734
[Gaussian] [已完结]单三重态能量居然一样    ( 1 2 ) (13/2410) 求学者@凤子 2011-09-22 2011-09-27 06:59:49 by mchen10
[Gaussian] [已完结]一些split-valenc基组的输入 (3/876) 313588908 2011-09-26 2011-09-27 00:22:38 by beefly
[Gaussian] [已完结]转动惯量计算 (0/398) rock0927 2011-09-26 2011-09-26 20:55:52 by rock0927
[Gaussian] [已完结]how to freeze the linear bend? (0/189) weishui03 2011-09-26 2011-09-26 20:20:37 by weishui03
[Gaussian] [已完结][关贴]103 报错 (3/495) kathy2008 2011-09-26 2011-09-26 19:38:24 by kathy2008
[Gaussian] [已完结]Pd(PhCN)2Cl2 (1/898) dld2006lidan 2011-09-26 2011-09-26 16:22:29 by quantumor
[Gaussian] [已完结]求助一片关于基组选择的期刊 (3/986) zszguangdian 2011-09-22 2011-09-26 16:13:39 by emmaxue
[Gaussian] [已完结]使用混合基组进行优化 出错，请各位大虾指点！    ( 1 2 ) (14/2246) zzti314 2011-09-20 2011-09-26 10:42:43 by zzti314
[Gaussian] 高斯公司的黑名单网站 (1/1433) voleyes 2011-09-26 2011-09-26 09:43:01 by beefly
[Gaussian] [已完结]高斯输出文件中的 SCF Done部分求解析 (1/1447) 会飞的种子 2011-09-26 2011-09-26 09:12:33 by wuy069
[Gaussian] oniom中配体分子的amber力场 (4/1096) helitrope 2011-09-24 2011-09-26 08:41:58 by helitrope
[Gaussian] [已完结]急求反应前吸附态优化方法 (0/244) herarysara 2011-09-26 2011-09-26 07:44:40 by herarysara
[Gaussian] [已完结]求帮忙用Gaussian下计算两个物质的参数 (2/422) alexwpch 2011-09-24 2011-09-26 01:57:26 by b97d
[Gaussian] [已完结]计算得到的频率的强度由哪个参数反映 (0/243) vigaryang 2011-09-25 2011-09-25 17:17:36 by vigaryang
[Gaussian] [已完结]求解关于催化反应的吸附态优化问题。 (1/260) herarysara 2011-09-24 2011-09-25 13:32:03 by herarysara
[Gaussian] 能量震荡 (11/1604) renxingye 2011-09-16 2011-09-25 06:41:36 by zhficcas
[Gaussian] [已完结]高斯计算 (6/556) 李倩1986 2011-09-23 2011-09-24 19:39:45 by 李倩1986
[Gaussian] 请问大家消虚频有什么好软件或者好方法吗 (6/1270) chiweijie 2011-09-12 2011-09-24 15:08:58 by 游子8921
[Gaussian] 【求助】求助32位Linux下的gaussian 03 软件    ( 1 2 ) (12/1081) fqwubo 2010-05-25 2011-09-24 04:50:55 by love5264
[Gaussian] [已完结]linux下安装Gaussian 03 (3/879) xiaozufeng 2011-09-23 2011-09-24 04:10:16 by asaka
[Gaussian] [已完结]怎样用gview看结果？？？ (1/306) astringent 2011-09-23 2011-09-23 16:50:52 by manson1998
[Gaussian] [求助] 计算红外光谱 (3/578) suntiemin8998 2011-09-20 2011-09-22 21:41:00 by suntiemin8998
[Gaussian] [已完结]跪请大家教我如何用Gaussion计算拉曼，红外光谱，总是出错 (6/1138) 549536348 2011-09-22 2011-09-22 17:46:17 by 549536348
[Gaussian] 溶剂化模型 (4/2378) haibo66878779 2011-08-14 2011-09-22 17:34:12 by sxguoch
[Gaussian] [已完结]5金币求分子结构模拟图，有附件。多谢 (1/245) youyoutime 2011-09-22 2011-09-22 15:39:46 by youyoutime
[Gaussian] 急！！！求助反应中溶剂化效应的数据处理 (0/377) sxguoch 2011-09-22 2011-09-22 12:11:30 by sxguoch
[Gaussian] [已完结]5金币求三磷酸腺苷结构模拟图，有附图。多谢 (0/342) youyoutime 2011-09-22 2011-09-22 12:10:27 by youyoutime
[Gaussian] [已完结]急！！！高斯09算碘原子用什么基组？ (1/2354) haiyanzou 2011-09-19 2011-09-22 10:37:08 by 贵在坚持
[Gaussian] [已完结]溶剂化效应审稿意见求助 (2/670) lihb734 2011-09-14 2011-09-21 21:56:23 by lihb734
[Gaussian] [已完结]开壳层优化，不收敛 (4/1098) sjjnew101 2011-09-20 2011-09-21 14:27:34 by sjjnew101
[Gaussian] [已完结]Gaussian每次运行之前都要重启电脑 (4/892) DHY19860208 2011-09-19 2011-09-21 13:10:39 by DHY19860208
[Gaussian] [已完结]关于Gaussian计算结果出现断键与虚频处理的问题 (1/660) cug_zhang 2011-09-20 2011-09-21 12:20:13 by fatpig8832
[Gaussian] 【讨论】高斯03与高斯98计算PCM的输出结果？ (1/340) TaoB 2010-05-12 2011-09-21 11:16:25 by 掀起书页的风
[Gaussian] [已完结]停在l1002.exe不动？ (3/780) zenghua63 2011-09-19 2011-09-21 09:38:38 by zenghua63
[Gaussian] [已完结]求问DFT-D方法怎么做？ (4/631) dlstella 2011-09-15 2011-09-21 09:35:05 by dlstella
[Gaussian] [已完结]如何利用高斯计算磁耦合常数 (1/488) zch_86918 2011-09-20 2011-09-20 20:33:56 by lihb734
[Gaussian] 投票:  [关贴]量化博士就业方向调查！ (1/301) tangbaowei 2011-09-17 2011-09-20 18:55:34 by yoghurt117
[Gaussian] [已完结]新手，献大洋求Gaussian高手帮忙~！！~！~！大伙儿可进来瞧瞧，感激不尽 (9/1308) hollelry 2011-09-14 2011-09-20 16:20:08 by zhangmt
[Gaussian] [已完结]高斯算蛋白质频率求助 (3/577) kkym0916 2011-09-14 2011-09-20 14:46:36 by kkym0916
[Gaussian] [已完结]gaussian 03安装软件及使用教程 (2/2435) zhulj 2011-06-24 2011-09-20 13:51:08 by chromiumion
[Gaussian] [已完结]过度金属电荷的计算 (4/652) liuyusuc 2011-09-16 2011-09-20 09:09:08 by 雨晨田木
[Gaussian] [已完结]求基组出错解决方法 (6/1009) hu.yanfei 2011-09-18 2011-09-20 00:21:08 by beefly
[Gaussian] [已完结]计算错误：L301 (6/662) wynli 2011-09-15 2011-09-19 20:35:09 by wynli
[Gaussian] 晶体中配体分子结构很不合理 (2/307) helitrope 2011-09-19 2011-09-19 19:34:26 by helitrope
[Gaussian] [已完结]gaussian 氢键 (2/562) 伶仃未了 2011-09-19 2011-09-19 17:54:29 by 雨晨田木
[Gaussian] [已完结]高斯计算出错801 (7/1004) beibeili 2011-07-12 2011-09-19 16:55:18 by beibeili
[Gaussian] [已完结]为什么用Gview5.0查看输出文件，发现结构中出现断键？？ (3/467) cug_zhang 2011-09-18 2011-09-19 16:02:37 by cug_zhang
[Gaussian] 几何构型优化报错 请大家帮忙看下是什么原因 (3/1400) lqj111 2011-08-23 2011-09-19 15:24:14 by 游子8921
[Gaussian] [已完结]复合物构型优化出错 (0/241) wengyana 2011-09-19 2011-09-19 11:03:07 by wengyana
[Gaussian] [已完结]请问计算含频超极化率时，输入文件怎样写？ (2/316) lxj1000 2011-09-18 2011-09-19 10:25:26 by lxj1000
[Gaussian] [已完结]请教一个关于BSSE的问题 (2/395) chaowen1314 2011-09-16 2011-09-19 08:41:43 by chaowen1314
[Gaussian] [已完结]qsub 提交作业 (1/2316) zml2009 2011-09-18 2011-09-18 19:04:05 by abbott
[Gaussian] 投票:  [关贴]量化硕士应届生就业待遇调查！ (0/627) tangbaowei 2011-09-17 2011-09-18 18:53:25 by tangbaowei
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