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[热点] AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性 babu2015 2026-02-09 刚刚
[Gaussian] 【求助】求一个高斯Linux版本 (2/884) lijie110 2010-09-21 2010-09-21 21:04:51 by nybz1986lizi
[Gaussian] 【求助】gaussian03运行程序出现拒绝访问的错误 (5/939) xner 2010-09-02 2010-09-21 16:46:24 by manson1998
[Gaussian] 【求助】分子优化过程中的点群问题    ( 1 2 ) (12/1389) 求学者@凤子 2010-09-20 2010-09-21 14:44:20 by manson1998
[Gaussian] 【讨论】能不能将某个基团固定于空间某一区域内？ (3/492) 虚谦 2010-09-21 2010-09-21 13:50:16 by 虚谦
[Gaussian] 【求助】请问用cc-pvtz-pp基组算一个C两个Au原子，怎么写输入文件，谢谢。    ( 1 2 ) (12/2040) musterants 2010-09-21 2010-09-21 10:33:38 by manson1998
[Gaussian] 【求助】关于能量走势图 (1/316) caozf 2010-09-21 2010-09-21 10:28:53 by manson1998
[Gaussian] 【求助】晶体gaussian计算 (9/1253) awayfromme 2010-09-15 2010-09-21 08:03:22 by lihb734
[Gaussian] 【求助】高斯软件安装问题 (2/566) lijie110 2010-09-20 2010-09-20 19:03:17 by erylingjet
[Gaussian] 【求助】请问在Gaussian03中如何指定分子的对称性？ (1/482) zhengpc3505 2010-09-19 2010-09-20 18:37:44 by cxyuan09
[Gaussian] 【求助】高手请给一个解释 (5/547) henuhaog 2010-09-19 2010-09-20 10:35:02 by henuhaog
[Gaussian] 【求助】请大家帮我分析下程序 (4/893) wurongyan 2010-09-17 2010-09-20 10:09:17 by wurongyan
[Gaussian] 【求助】请教一下关于Gaussian计算振动频率的问题 (7/1327) jayff 2010-09-17 2010-09-20 08:44:24 by manson1998
[Gaussian] 【求助】计算初学者请教 (7/649) zhangshirly 2010-09-15 2010-09-20 08:36:31 by manson1998
[Gaussian] 【求助】求一篇acs文献！！ (6/422) xulisonghai 2010-09-18 2010-09-20 08:33:40 by xulisonghai
[Gaussian] 【求助】计算时中断，遇见的错误不知道怎样解决 (1/230) wutongshun 2010-09-19 2010-09-20 00:16:22 by recoli
[Gaussian] 【求助】求SBA-15分子筛量化模型 (3/594) liujodan 2010-09-11 2010-09-19 17:10:00 by meteoric30
[Gaussian] 【求助】g09 td计算激发态的完整关键词 (1/509) lixue510 2010-09-19 2010-09-19 11:21:45 by 新世纪
[Gaussian] 【求助】HOMO LUMO 在GVIEW里的做法 (2/580) liujodan 2010-09-17 2010-09-19 09:39:51 by liujodan
[Gaussian] 【求助】用gaussian优化物质 (2/467) 314202528 2010-09-18 2010-09-19 09:24:23 by manson1998
[Gaussian] 【求助】How to Perform a Uff Calculation (1/322) x7511413 2010-09-18 2010-09-19 09:20:07 by manson1998
[Gaussian] 【求助】oniom中的bsse问题 (9/1071) pllyf2006 2010-09-17 2010-09-19 08:36:02 by manson1998
[Gaussian] 【求助】NBO分析的小问题 (0/299) huying15 2010-09-18 2010-09-18 18:18:57 by huying15
[Gaussian] 【求助】SDD基组的确切描述    ( 1 2 ) (10/3438) shenhaige 2010-09-17 2010-09-18 12:45:42 by chrinide
[Gaussian] 【求助】轨道系数 (2/308) xiaoxiao136 2010-09-17 2010-09-17 21:54:39 by xiaoxiao136
[Gaussian] 【求助】请问用高斯做核磁计算，用什么方法和基组算更准确？ (0/1296) liweiyi123456 2010-09-17 2010-09-17 14:59:50 by liweiyi123456
[Gaussian] 【讨论】大分子优化 (4/430) bluejh 2010-09-17 2010-09-17 14:16:19 by bluejh
[Gaussian] 【求助】分子体积计算 (3/721) iacwj03 2010-09-17 2010-09-17 11:50:10 by manson1998
[Gaussian] 【求助】请问高斯能做P31的核磁计算吗 (4/634) liweiyi123456 2010-09-16 2010-09-17 09:19:51 by liweiyi123456
[Gaussian] 【求助】gaussian计算中的疑问 (2/272) zzti314 2010-09-16 2010-09-17 00:26:52 by beefly
[Gaussian] 【求助】关于含有金属离子的配合物计算问题 (7/2077) googo66 2010-06-27 2010-09-16 23:42:59 by xjyuefan
[Gaussian] 【求助】计算文件里含金属，请问怎样能得到cube (0/370) wutongshun 2010-09-16 2010-09-16 18:58:32 by wutongshun
[Gaussian] 【求助】gview 用MO Editor 时 出错！模仿yjcmwgk大师原创35个教程如何得到cube剖面失 (1/384) xcyqyz5233 2010-09-16 2010-09-16 14:50:58 by xcyqyz5233
[Gaussian] 【调查】新版gaussian里同时计算单重和三重激发态的bug修正没 (1/271) tiechong 2010-09-15 2010-09-16 00:49:13 by beefly
[Gaussian] 【求助】急求助：做计算买什么电脑好    ( 1 2 ) (11/1784) smellycat623 2010-09-14 2010-09-15 23:29:42 by tiechong
[Gaussian] 【求助】高手计算最后提交的问题 (1/435) kuangfg1987 2010-09-15 2010-09-15 15:58:52 by tjuZidan
[Gaussian] 【求助】gaussian计算输出中，频率以及构型优化的输出如何解释？ 感谢应助者 (8/1409) zzti314 2010-09-12 2010-09-15 12:05:21 by beefly
[Gaussian] 【求助】g09-linux，为什么有些任务正常结束，有些就中间结束，没有错误信息 (0/285) 去伪存真 2010-09-15 2010-09-15 11:10:26 by 去伪存真
[Gaussian] 【求助】求人帮翻译一句话 (2/343) sunlong650 2010-09-13 2010-09-14 22:10:04 by a349857460
[Gaussian] 【求助】高斯计算光谱项出错 (5/1167) lingznpmg 2010-09-13 2010-09-14 21:46:48 by lingznpmg
[Gaussian] 【分享】如何减少个人微机高斯内存不能为“written”或“read”的小经验 (评阅+5) (3/983) noeyedragon 2010-09-14 2010-09-14 21:23:34 by lingznpmg
[Gaussian] 【求助】哪位大侠指导一下 (4/735) liuxiaomai 2010-09-08 2010-09-14 12:48:43 by LuPeng5366
[Gaussian] 【求助】请教一个问题 (8/756) axy 2010-09-08 2010-09-13 20:29:29 by lingznpmg
[Gaussian] 【求助】Gaussian 计算出错 (3/550) S07111072 2010-09-13 2010-09-13 18:44:16 by LuPeng5366
[Gaussian] 【求助】一个添加基组问题 (5/647) mplanck 2010-09-03 2010-09-13 15:24:00 by x7511413
[Gaussian] 【求助】关于ONIOM输入文件 (2/693) z5476t4508 2010-08-25 2010-09-13 14:01:58 by dragonli
[Gaussian] 【讨论】如何否定某一复合物结构的存在？ (7/1042) piaoma 2010-09-11 2010-09-13 12:29:50 by piaoma
[Gaussian] 【求助】计算停掉了，帮忙看看什么原因 (4/612) crystalzjy 2010-09-13 2010-09-13 10:55:28 by zhangmt
[Gaussian] 【求助】高斯计算 (评阅+5) (1/416) haibo66878779 2010-09-13 2010-09-13 10:47:21 by erylingjet
[Gaussian] 【讨论】如何利用gaussian来解释关于不同合成条件下得到的两种配合物（50金币）    ( 1 2 3 ) (20/2225) faqianliu 2010-08-31 2010-09-13 09:44:59 by manson1998
[Gaussian] 【求助】优化不收敛且跳跃    ( 1 2 ) (12/1486) meteoric30 2010-09-08 2010-09-13 02:46:47 by greaticeland
[Gaussian] 【讨论】同时安装g03与g09 (9/1795) bluejh 2010-09-10 2010-09-12 19:49:04 by ifmc1234
[Gaussian] 【讨论】请问有用AMD的CPU做Gaussian计算的朋友吗？ (3/2187) zhengpc3505 2010-09-12 2010-09-12 19:32:04 by zhengpc3505
[Gaussian] 【讨论】B3LYP优化好的结构，再用MP2进行优化，为什么不收敛呢？ (6/695) erylingjet 2010-09-10 2010-09-12 17:05:43 by erylingjet
[Gaussian] 【求助】onsager模型输入格式 (评阅+5) (4/1191) 569480531 2010-09-11 2010-09-12 08:14:36 by lihb734
[Gaussian] 【求助】关于如何用关键词Freq=readISO来求指定温度和压力下的热力学参数 (5/1607) zzti314 2010-09-09 2010-09-12 08:01:47 by x7511413
[Gaussian] 【求助】gaussian计算所需要的配置？ (4/605) 314202528 2010-09-06 2010-09-11 21:02:25 by zhangmt
[Gaussian] 【求助】TDDFT方法优化激发态出错 (0/676) zhengwl350 2010-09-11 2010-09-11 15:10:51 by zhengwl350
[Gaussian] 【求助】请问下面两张图是用什么软件画的呢。 (0/231) loovfnd 2010-09-11 2010-09-11 09:43:59 by loovfnd
[Gaussian] 【求助】激发态的优化 (1/424) haibo66878779 2010-09-09 2010-09-10 17:11:56 by lfycdymax
[Gaussian] 【求助】用BHandHLYP 方法优化一个含38原子的分子，怎么就那么慢？ (3/1010) qinyuzhu5233 2010-09-10 2010-09-10 15:17:19 by yjcmwgk
[Gaussian] 【求助】如何使用TDDFT的计算激发态偶极矩 (7/1869) xiaoxiong7286 2010-09-06 2010-09-10 10:36:42 by xiaoxiong7286
[Gaussian] 【求助成功】怎么用GAUSSIAN计算的结果拟合力场？    ( 1 2 ) (10/867) zyj8119 2010-04-16 2010-09-10 08:05:07 by 朙天儿
[Gaussian] 【求助】自旋污染请教 (1/1912) pinebj 2010-09-09 2010-09-09 21:35:16 by meteoric30
[Gaussian] 【求助】请教关于基组大小的问题 (2/493) solarman 2010-09-09 2010-09-09 19:21:44 by cxyuan09
[Gaussian] 【求助】请教Gaussian的使用方法 (6/922) 游子8921 2010-09-08 2010-09-09 17:11:24 by 游子8921
[Gaussian] 【求助】如何用QST2寻找反应过渡态 (9/2480) zzti314 2010-09-09 2010-09-09 16:50:36 by manson1998
[Gaussian] 【求助】用counter做bsse修正三个原子片段时出错 (7/1199) luliya2005 2010-09-08 2010-09-09 12:05:15 by lb1586551
[Gaussian] 【求助】前线轨道 (4/511) sunlong650 2010-09-09 2010-09-09 11:12:29 by sunlong650
[Gaussian] 【求助】MP2\AUG--CC-PVTZ算频率时老死！！    ( 1 2 ) (金币≥50)(11/109) xulisonghai 2010-09-04 2010-09-09 09:09:17 by xulisonghai
[Gaussian] 【求助】gv中不能显示频率 (5/646) maoyt77 2010-09-07 2010-09-09 08:44:39 by manson1998
[Gaussian] 【求助】包含过渡金属的体系的优化 (5/1437) solarman 2010-09-06 2010-09-09 08:41:34 by manson1998
[Gaussian] 【求助】高斯里有meta-GGA的DFT不 (1/546) tiechong 2010-09-08 2010-09-09 00:41:42 by beefly
[Gaussian] 【求助】怎么判断优化结果是否得到明显改善 (2/417) xiaoqian830606 2010-09-08 2010-09-08 20:38:53 by xiaoqian830606
[Gaussian] 【讨论】高斯算激发态 (1/286) haibo66878779 2010-09-08 2010-09-08 18:15:21 by ggdh
[Gaussian] 【求助】分子轨道 (7/845) haibo66878779 2010-09-07 2010-09-08 15:39:48 by manson1998
[Gaussian] 【讨论】优化问题，大侠进啊    ( 1 2 ) (10/970) noeyedragon 2010-09-06 2010-09-08 10:31:00 by meteoric30
[Gaussian] 【求助】MP2计算频率死了？ (3/1054) erylingjet 2010-09-07 2010-09-08 10:23:29 by xianweiwang
[Gaussian] 【求助】计算过程中遇到的问题 (金币≥300)(2/31) 小鱼-加油 2010-09-07 2010-09-07 21:51:51 by 小鱼-加油
[Gaussian] 【求助】Gaussian03球轨道动能？ (1/343) nwwolfchj 2010-09-06 2010-09-07 21:01:19 by nwwolfchj
[Gaussian] 【求助】Average Kinetic Energy (U) 表示什么，用Gaussian或GAMESS怎么实现？ (1/454) nwwolfchj 2010-09-07 2010-09-07 19:59:39 by sobereva
[Gaussian] 【求助】报错：Incomplete coordinate system. (3/691) x7511413 2010-09-04 2010-09-07 17:10:52 by 小丁0912
[Gaussian] 【求助】理论计算：参考文献看不懂，请高人指点 (4/532) x7511413 2010-09-06 2010-09-07 17:03:13 by 小丁0912
[Gaussian] 【求助】这两张图是怎么做的 (2/329) xiaoxiao136 2010-09-07 2010-09-07 15:08:41 by xiaoxiao136
[Gaussian] 【求助】有人用过dushin程序分析重整化能吗？ (1/426) hbnuwangshuling 2010-06-06 2010-09-07 13:34:13 by Swunlly
[Gaussian] 【求助】请问有什么计算方法可以模拟或计算光散射？ (0/272) xiaoma541 2010-09-07 2010-09-07 12:55:01 by xiaoma541
[Gaussian] 【求助】金属络合物计算 (5/472) jxzhao 2010-09-02 2010-09-07 12:36:09 by manson1998
[Gaussian] 【求助】LANL2DZ与SDD (0/1169) 3867826 2010-09-07 2010-09-07 10:38:34 by 3867826
[Gaussian] 【求助】请教一个关于gaussian的问题    ( 1 2 ) (17/1784) luolun2008 2010-08-26 2010-09-07 09:52:14 by manson1998
[Gaussian] 【求助】ONIOM计算出错 (6/1046) huying15 2010-08-31 2010-09-07 09:49:03 by huying15
[Gaussian] 【求助】ONIOM计算所得的extrapolated energy的单位是什么 (5/362) huying15 2010-09-04 2010-09-07 09:48:18 by huying15
[Gaussian] 【求助】原子的状态在过渡态中 (6/607) lb1586551 2010-07-22 2010-09-07 09:39:08 by fkingdeath
[Gaussian] 【求助】hzfish,能给个例子吗，求求你帮个忙好吗 (3/372) djl2008d 2010-08-27 2010-09-07 09:11:28 by manson1998
[Gaussian] 【求助】M06-2x(M05-2X) mp2的比较 (5/1858) piaoma 2010-09-05 2010-09-06 21:04:36 by ggdh
[Gaussian] 【求助】关于铁卟啉FeTPP的结构优化 (1/705) caozf 2010-09-06 2010-09-06 21:02:07 by ggdh
[Gaussian] 【求助】投文章时写方程式用什么工具写？ (7/745) meteoric30 2010-09-02 2010-09-06 19:41:36 by meteoric30
[Gaussian] 【求助】怎样判断优化后的构型是稳定的、合理的？    ( 1 2 ) (10/4269) saradzj 2010-09-05 2010-09-06 19:27:11 by saradzj
[Gaussian] 【求助】CCSD方法有什么优缺点。 (2/485) chuchu6816 2010-09-06 2010-09-06 18:14:15 by 3867826
[Gaussian] 【求助】跑频率和IRC为什么不能接着算？ (4/1770) qufushifan 2010-09-06 2010-09-06 15:43:47 by manson1998
[Gaussian] 【求助】求助环境变量设置问题 (2/660) fish_tank 2010-09-06 2010-09-06 13:31:07 by fish_tank
[Gaussian] 【讨论】两种泛函,对一个过渡态进行优化成功,IRC得到两种不同产物,是否都能认可 (1/305) 奔鲨 2010-09-06 2010-09-06 13:07:16 by manson1998
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