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[热点] 天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人） a793625982 2026-02-08 刚刚
[Gaussian] 有用gausssum画过ecd的吗？ (金币≥1)(2/80) haweilan_sy 2011-05-26 2011-06-01 16:03:19 by haweilan_sy
[Gaussian] 【求助】Gaussian计算ECD结果如何显示 (1/693) happy20086928 2010-11-30 2011-06-01 14:52:07 by haweilan_sy
[Gaussian] [已完结]求助L914错误：Insufficient memory for a single shell combination in PrmRal (1/1002) oyljw 2011-06-01 2011-06-01 11:06:16 by lxying
[Gaussian] [已完结]求gaussian view 软件 (1/433) rock0927 2011-05-30 2011-06-01 10:29:19 by xjrf1314
[Gaussian] [已完结]求助 (金币≥5)(4/37) dxjdmy 2011-05-30 2011-06-01 08:23:59 by dxjdmy
[Gaussian] [已完结]怎么算Raman spectra ？？？ (2/418) lixue510 2011-04-27 2011-05-31 19:26:16 by nannan0707
[Gaussian] [已完结]输出文件错误指教 (1/525) 游子8921 2011-05-31 2011-05-31 16:30:58 by 小鱼-加油
[Gaussian] [已完结]分子笛卡尔坐标 (0/840) rock0927 2011-05-31 2011-05-31 12:30:50 by rock0927
[Gaussian] [已完结]What is the hybrid orbital of oxygen in n-butanol? (3/298) dewpoint 2011-05-31 2011-05-31 07:26:16 by mchen10
[Gaussian] [已完结]最近做毕业论文，有个问题不能理解，望各位老师们指教。 (金币≥2)(1/126) 军拥天下 2011-05-30 2011-05-31 07:24:44 by fooo
[Gaussian] [已完结]最近做毕业论文，有个问题不能理解，望各位老师们指教。 (金币≥2)(0/42) 军拥天下 2011-05-30 2011-05-30 16:28:08 by 军拥天下
[Gaussian] [已完结]急求gaussian03软件 (2/700) 逝水流年sj 2011-05-28 2011-05-30 14:38:36 by chem_shilly
[Gaussian] 【求助】[求助]弱相互作用优化时是否需要BSSE校正？ (4/1260) spring965 2010-06-04 2011-05-30 11:42:45 by beefly
[Gaussian] 【求助】Gaussian 的客服端如何向服务器提交任务 (金币≥5)(3/58) liaoliqiong 2010-06-05 2011-05-30 11:02:53 by sangym
[Gaussian] 【求助】PCM能量计算求助 (5/1196) feiyang1210 2010-11-01 2011-05-30 10:14:35 by gaoyp0114
[Gaussian] [已完结]怎样用Gaussian软件计算不同的温度下的水的热力学? (0/363) lizh523 2011-05-30 2011-05-30 10:12:26 by lizh523
[Gaussian] [已完结]HOMO简并怎么处理 (4/601) 树上搭窝 2011-05-21 2011-05-30 09:58:24 by 树上搭窝
[Gaussian] 【求助】BSSE出错    ( 1 2 ) (金币≥100)(14/82) suxianxiang 2010-09-26 2011-05-30 08:36:18 by zmcommon
[Gaussian] 找过渡态 (4/584) wenxianliu 2011-05-26 2011-05-29 20:15:22 by maowenxue
[Gaussian] [已完结]求助，怎么让频率计算更加能多考虑低频 (2/253) NUPT 2011-05-29 2011-05-29 20:11:31 by NUPT
[Gaussian] [已完结]求助各位gaussian大侠 (4/777) sqh929 2011-05-28 2011-05-29 15:46:18 by 独唱团
[Gaussian] [已完结][关贴]溶液中静电能等的计算 (0/298) xylz6188 2011-05-29 2011-05-29 15:18:09 by xylz6188
[Gaussian] [已完结]高斯计算中如何得到键的重叠布居数？ (0/622) jdztcxy 2011-05-29 2011-05-29 13:58:04 by jdztcxy
[Gaussian] [已完结][关贴]紫外可见光谱的计算 (5/722) chemhehe 2011-05-28 2011-05-29 09:55:48 by wushidi
[Gaussian] [已完结]关于POP=NBODel (3/423) forestwolf9291 2011-05-27 2011-05-28 11:23:13 by forestwolf9291
[Gaussian] [已完结]求助............... (1/213) chiweijie 2011-05-28 2011-05-28 11:07:58 by zmcommon
[Gaussian] 【求助】算结合能时取OUT文件的哪一个数据？ (4/748) shazhishao 2010-06-09 2011-05-28 10:34:24 by 天下枫叶
[Gaussian] [已完结]有两个问题很困惑！ (1/340) xcyqyz5233 2011-05-27 2011-05-27 17:49:22 by yongma2008
[Gaussian] [已完结]Gaussian 磁矩难题求解 (2/405) 醋溜小白菜 2011-05-25 2011-05-27 17:32:10 by 醋溜小白菜
[Gaussian] [已完结]铁氧卟啉氧化植物甾醇文献 铁氧卟啉氧化乙烯文献 (1/438) qinfang 2011-05-25 2011-05-27 16:43:20 by heyo_123
[Gaussian] [已完结][关贴]环糊精与药物模拟 (金币≥100)(0/39) 天下枫叶 2011-05-27 2011-05-27 15:36:19 by 天下枫叶
[Gaussian] [已完结]分子OPT和用TD-DFT计算吸收光谱必须使用相同的基组和弥散吗 (3/1422) wfr8killer 2011-05-09 2011-05-27 14:45:50 by meteoric30
[Gaussian] [已完结]计算orbital composition    ( 1 2 ) (10/1840) meteoric30 2011-05-24 2011-05-27 10:11:33 by cavediger
[Gaussian] [已完结]金属离子怎么计算不对呢？大虫们帮忙看一下谢谢啊！ (3/894) 端木青 2011-05-26 2011-05-27 08:27:34 by kaegi
[Gaussian] 什么是所谓的using a balanced basis set和tz2p基组 (3/827) liuyusuc 2011-05-24 2011-05-27 08:00:03 by wushidi
[Gaussian] [已完结]求助文献一篇 (金币≥2)(1/20) maomaotu9315 2011-05-26 2011-05-26 20:46:52 by kaegi
[Gaussian] [已完结]求教偶合常数读取数据与计算 (0/425) caurabbit 2011-05-26 2011-05-26 15:21:02 by caurabbit
[Gaussian] 对于含有未成对但是自旋相反单电子的体系，如何处理？ (金币≥80)(10/72) flowerge 2011-05-25 2011-05-26 15:18:15 by dongkaiyu430
[Gaussian] [已完结][求助] 高斯寻找过渡态 (1/593) spring965 2011-05-25 2011-05-26 14:28:17 by kaegi
[Gaussian] 建议新建在QM/MM板块！ (1/366) vividelife 2011-05-26 2011-05-26 10:21:28 by yjcmwgk
[Gaussian] 【求助】势能面最后数据提取 (4/781) shenhai1315 2011-03-29 2011-05-26 09:18:04 by suosuosky
[Gaussian] [已完结]NBO适合过渡金属体系吗 (9/1601) sjjnew101 2011-05-23 2011-05-25 23:19:00 by fichte
[Gaussian] [已完结]Gaussian模拟SERS (6/1414) danyinggian 2011-05-23 2011-05-25 21:17:22 by mikesnow
[Gaussian] [已完结][关贴]求助：关于用Gauss看氢键作用 (5/1666) suosuosky 2011-05-25 2011-05-25 17:27:50 by zhou2009
[Gaussian] 【讨论】大家讨论下计算弱键的方法-氢键，卤键 (9/2383) ronnie5031 2010-11-18 2011-05-25 16:58:52 by suosuosky
[Gaussian] 团簇中电荷迁移（Charge Transfer）与那些因素有关？ (1/359) LuPeng5366 2011-05-22 2011-05-25 16:50:36 by lihb734
[Gaussian] [已完结]怎样估算某项Gaussian任务（SP，FREQ等）的时间，有没有相应的程序 (0/386) liyuanhe211 2011-05-24 2011-05-25 16:43:02 by liyuanhe211
[Gaussian] [已完结]高斯的formchk用不了，求解    ( 1 2 ) (评阅+2) (12/3193) cj4566 2011-04-28 2011-05-25 14:47:49 by 醋溜小白菜
[Gaussian] [已完结]电场作用下算单点 (0/262) zml2009 2011-05-25 2011-05-25 14:24:21 by zml2009
[Gaussian] [已完结]请教高手，如何修改lc-wpbe 中参数w的数值？ (2/841) hlma_ustc 2011-04-28 2011-05-25 12:49:40 by lihb734
[Gaussian] [已完结]请教柔性扫描和刚性扫描的适用性 (6/2720) vigaryang 2011-05-21 2011-05-25 11:19:16 by vigaryang
[Gaussian] [已完结]电子轨道分布中的红色和绿色表示什么 急！ (2/1087) chenxf122 2011-05-24 2011-05-25 08:59:23 by zmcommon
[Gaussian] [已完结]关于势能面扫描！！    ( 1 2 ) (11/2259) suosuosky 2011-05-19 2011-05-24 20:57:35 by suosuosky
[Gaussian] [已完结]优化含Ir的阳离子几何结构，居然出现DiagDN has N= 1918 LTot= 5788 but NE2= 3 (1/468) wutongshun 2011-05-13 2011-05-24 16:48:10 by sqh929
[Gaussian] [已完结]各位大侠，麻烦指导一下，在计算S0.S1，T1时，电荷和多重度有没有变化，谢谢 (5/1373) sqh929 2011-05-22 2011-05-24 14:48:37 by sqh929
[Gaussian] [已完结]关于键长的读取 (6/550) suosuosky 2011-05-24 2011-05-24 14:31:09 by gmy1990
[Gaussian] [已完结]关于铜和锌配合物分子的优化 (0/364) 2007071536 2011-05-24 2011-05-24 14:28:03 by 2007071536
[Gaussian] [已完结]求助：关于TDDFT出错！ (6/887) suosuosky 2011-05-24 2011-05-24 14:17:20 by lihb734
[Gaussian] [已完结]求助一下 (2/592) sqh929 2011-05-24 2011-05-24 14:15:47 by 2007071536
[Gaussian] [已完结]求各种基组的基函数数目和高斯函数数目 (1/1594) liyuanhe211 2011-05-24 2011-05-24 13:33:50 by gmy1990
[Gaussian] 菜鸟发问？？？ (4/498) jingetiema61 2011-05-22 2011-05-24 11:18:23 by jingetiema61
[Gaussian] [已完结]求一个自由能方面的问题（3-21g* 5d，6-31+g** 5d） (2/648) zhulty 2011-05-23 2011-05-24 07:46:13 by mchen10
[Gaussian] [已完结]关于高斯 (2/636) wangyudany 2011-05-22 2011-05-23 20:48:28 by xj544
[Gaussian] [已完结]ONIOM方法中link atom？ (6/1528) charityqi 2011-05-15 2011-05-23 19:58:25 by charityqi
[Gaussian] [已完结]高斯扫势能面的问题 (6/1782) asaki 2011-05-06 2011-05-23 15:40:12 by asaki
[Gaussian] [已完结]计算CH3OH能级 (1/255) zgzuo 2011-05-23 2011-05-23 11:33:17 by zgzuo
[Gaussian] [已完结]高斯优化 (4/797) zml2009 2011-05-22 2011-05-23 09:46:07 by zml2009
[Gaussian] [已完结]高斯03能算不同pH值的荧光光谱吗？ (2/431) 461018249 2011-05-21 2011-05-22 23:30:12 by 461018249
[Gaussian] [已完结]Gaussian--热力学--混合机组---酸性环境 (2/667) Jonathan_shi 2011-05-21 2011-05-22 18:56:54 by wangyudany
[Gaussian] [已完结]请问一个IRC能量的提取问题，谢谢各位 (2/803) wcszbd2008 2011-05-21 2011-05-22 16:11:11 by kaegi
[Gaussian] [已完结]SCAN 中可以同时做CP校正么？ (4/1271) 亍寞 2011-05-21 2011-05-22 15:17:19 by 亍寞
[Gaussian] [已完结]请求计算铁氧卟啉氧化乙烯过渡态代码 (4/687) qinfang 2011-05-22 2011-05-22 13:33:36 by yjcmwgk
[Gaussian] [已完结]MP2在PCM下弱相互作用能量扫描出现跳跃 (6/1254) domilar 2011-05-18 2011-05-21 18:56:27 by domilar
[Gaussian] [已完结]在ONIOM优化中加关键词GDIIS，对计算的精度有没有影响 (1/519) huying15 2011-05-21 2011-05-21 17:17:27 by ifmc1234
[Gaussian] [已完结]硅烷吸附 (8/849) lm214019 2011-05-19 2011-05-21 13:45:09 by lm214019
[Gaussian] [已完结]高分求助，金币乃身外之物 (4/542) xudongyu1102 2011-05-20 2011-05-21 13:19:06 by xudongyu1102
[Gaussian] [已完结]求助：巯基嘧啶的基本性质有哪些呀？ (2/585) Captain-Jack 2011-05-16 2011-05-21 10:46:24 by kaegi
[Gaussian] 体系的波函数如何写出来？ (1/964) 新世纪 2011-05-18 2011-05-20 21:55:26 by sculhf
[Gaussian] [已完结]计算CUBE (6/1348) zzl7337 2011-05-17 2011-05-20 18:25:21 by boylc789
[Gaussian] [已完结]为何用同样的方法，软件之间差异这么大？    ( 1 2 ) (16/2354) ghcacj 2011-05-18 2011-05-20 18:21:55 by ghcacj
[Gaussian] 【已解决】scan只输出一个能量值 (12/1518) hfdaiyun 2011-04-12 2011-05-20 16:52:01 by blueybz
[Gaussian] DFT计算分子的能量，是应该用实验构型，还是自己的计算收敛优化构型？ (0/375) 奔鲨 2011-05-20 2011-05-20 11:56:18 by 奔鲨
[Gaussian] [已完结]gauss优化结构，求助 (9/1269) haweilan_sy 2011-05-19 2011-05-20 10:14:30 by haweilan_sy
[Gaussian] [已完结]理论计算比较：配体的质子化稳定还是 和碱金属作用稳定    ( 1 2 ) (12/2123) 小丁0912 2011-05-17 2011-05-20 09:19:44 by xp5701688
[Gaussian] [已完结]光谱计算求教 (0/414) ww1987 2011-05-19 2011-05-19 20:22:26 by ww1987
[Gaussian] [已完结]自旋污染    ( 1 2 ) (10/2083) danyinggian 2011-05-14 2011-05-19 10:48:00 by mchen10
[Gaussian] [已完结]结合能 (1/1008) hustyh0801 2011-04-30 2011-05-18 22:00:29 by kaegi
[Gaussian] [已完结]高斯09版pcm计算输出结果？ (1/692) liujkbenben 2011-05-03 2011-05-18 21:47:13 by kaegi
[Gaussian] 【求助】Error termination request processed by link 9999. (9/2421) a-b-c 2011-04-06 2011-05-18 21:41:25 by kaegi
[Gaussian] [已完结]BSSE能量校正值为负怎么解决？ (0/789) S07111072 2011-05-18 2011-05-18 21:40:22 by S07111072
[Gaussian] [已完结]求高斯计算中配位键如何画 (3/2739) hailinglrz 2011-04-30 2011-05-18 21:36:51 by kaegi
[Gaussian] [已完结]溶剂化效应报错，急求各位大虾 (3/1280) 六块石头 2011-05-08 2011-05-18 21:09:33 by kaegi
[Gaussian] [已完结]ONIOM计算的收敛问题 (1/473) huying15 2011-05-16 2011-05-18 20:52:31 by kaegi
[Gaussian] [已完结]在高斯中用oniom方法为什么固定low层的原子会出错 (2/485) voleyes 2011-04-29 2011-05-18 20:42:05 by kaegi
[Gaussian] 关于MP2/6-31+G*的应用 (5/1370) vsl74 2011-05-17 2011-05-18 15:42:54 by agent99
[Gaussian] [已完结]怎么算非共线磁性 (0/456) ikea1984 2011-05-18 2011-05-18 15:30:24 by ikea1984
[Gaussian] 【求助】如何在高斯中加入电场，请给个例子，谢谢啦 (3/1128) djl2008d 2011-03-06 2011-05-18 14:54:47 by zml2009
[Gaussian] [专家] [已完结]为什么C60是n型半导体而不是p型半导体 (0/1720) ggdh 2011-05-09 2011-05-18 14:33:31 by ggdh
[Gaussian] [已完结]铁氧卟啉中的铁是几价，整个分子的多重度是多少 (0/899) zhulty 2011-05-09 2011-05-18 14:33:17 by zhulty
[Gaussian] [已完结]求助：第一超极化率β (0/375) liangshash 2011-05-18 2011-05-18 11:38:38 by liangshash
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