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[热点] 2024 - Redox‐Active Ligands asymmsyn 2026-02-08 刚刚
[Gaussian] [已完结]gaussview中如何设置qst2 (2/1297) charityqi 2011-07-14 2011-08-30 16:58:11 by emmaxue
[Gaussian] [已完结][关贴]怎样计算classical dipole-dipole interaction ？ (0/162) guanjiwen 2011-08-22 2011-08-30 16:13:54 by guanjiwen
[Gaussian] [已完结]轨道相关的问题 (0/257) bird37 2011-08-26 2011-08-30 16:11:29 by bird37
[Gaussian] [已完结]求 高斯 error 归纳总结 (2/292) XYLF 2011-08-19 2011-08-30 12:16:23 by XYLF
[Gaussian] [已完结]gaussian计算的优化结果文件修剪问题 (3/559) realmanster 2011-08-28 2011-08-30 09:15:12 by liuzhengjun0427
[Gaussian] [已完结]轨道能量 (2/286) zml2009 2011-08-29 2011-08-29 20:22:59 by zml2009
[Gaussian] [已完结]在反应机理中遇到这样的问题我又迷糊了，欢迎虫子们进来指点下 (5/1084) xiaowandouer 2011-08-03 2011-08-29 18:15:03 by xiaowandouer
[Gaussian] 【求助】复杂化学反应的反应路径如何研究 (4/1269) xk6891 2011-02-26 2011-08-28 21:39:11 by emmaxue
[Gaussian] [已完结]高斯计算die (4/518) liuyusuc 2011-08-15 2011-08-28 21:36:16 by emmaxue
[Gaussian] [已完结]analytic 2nd derivatives是什么？ (4/1335) mscic 2011-08-27 2011-08-28 19:47:43 by coolrainbow
[Gaussian] [已完结]新手求助，如何利用反应物和产物需找中间态或者是过渡态？ (2/856) 迷茫的小飞侠 2011-08-27 2011-08-27 19:05:24 by ahehyh
[Gaussian] [已完结]小型服务器    ( 1 2 ) (15/930) llwwwh 2011-08-11 2011-08-27 10:36:32 by llwwwh
[Gaussian] [已完结]NICS (3/972) ww1987 2011-04-27 2011-08-27 08:44:40 by zhaoyxcas
[Gaussian] 【求助】NICS值怎么这么大？？ (4/932) gyj2058034 2010-06-11 2011-08-27 08:29:08 by zhaoyxcas
[Gaussian] [已完结]请问b3lyp/6-311+g(d)的zpe和频率校正因子各是多少？ (1/344) 望天定远 2011-08-23 2011-08-26 18:24:43 by luoronggen
[Gaussian] 【求助】关于键级计算    ( 1 2 ) (10/3844) xiaowu787 2010-06-28 2011-08-26 18:23:05 by boylc789
[Gaussian] 关于HF和MP2的两个问题 (3/629) baoyuan6969 2011-08-25 2011-08-26 18:19:55 by boylc789
[Gaussian] [已完结]关于过渡态的一个问题 (2/288) liuzhengjun0427 2011-08-26 2011-08-26 18:08:46 by luoronggen
[Gaussian] [已完结]求助：gauss09优化H2出错 (5/1822) rulongxu 2011-08-26 2011-08-26 18:04:34 by luoronggen
[Gaussian] [已完结]Ag 100 (5/413) 4010808 2011-08-24 2011-08-26 08:37:45 by cavediger
[Gaussian] [已完结]求B3LYP/6-311+G(D,P)的零点能校正因子 (4/990) zhengpc3505 2011-08-12 2011-08-25 21:17:08 by 604758762
[Gaussian] [已完结][关贴]Error termination via Lnk1e in 求助 (1/2452) bubuweiying 2011-08-18 2011-08-25 21:03:53 by 604758762
[Gaussian] [已完结]求助离子液体与大分子相互作用，但大分子由三种单体及其衍生物组成，此时相互作用如何 (0/239) 604758762 2011-08-25 2011-08-25 20:59:44 by 604758762
[Gaussian] [已完结]请教一下：有没有谁用MPWB1K算过频率，怎么优化好的结构有好多虚频？ (2/771) liweiyi123456 2011-08-25 2011-08-25 19:09:15 by cleaner_1
[Gaussian] [已完结]阿尔法和贝特电子的区别 (2/1508) lixiaona158 2011-08-24 2011-08-25 17:33:22 by asaka
[Gaussian] [已完结]我用Gaussview打开输出文件，为甚么只显示原子，键都不显示，怎么样就显示键了 (6/2515) jujiao201060 2011-08-15 2011-08-25 17:16:23 by 医无止境
[Gaussian] [已完结]高斯中两个原子的位置重合 (6/1747) liuyusuc 2011-08-21 2011-08-25 12:31:16 by liuyusuc
[Gaussian] [已完结]请问各位，G3B3做了点单后，读输出文件的哪个能量啊？ (1/519) 冲刺哦 2011-07-23 2011-08-25 09:06:32 by 154552485
[Gaussian] [已完结]计算平台提交作业    ( 1 2 ) (13/1529) 天下枫叶 2011-08-19 2011-08-25 02:21:06 by mchen10
[Gaussian] [关贴]那位高手能传给我一个用GAUSSIAN计算键的解离能的算例啊 (1/817) 学员jDhte6 2011-08-23 2011-08-25 00:58:51 by tiechong
[Gaussian] [已完结]寻文启示 (0/201) stone1979 2011-08-24 2011-08-24 21:39:55 by stone1979
[Gaussian] [已完结]请教高斯出错信息出错原因 (2/1541) beipiao616 2011-08-24 2011-08-24 14:58:36 by beipiao616
[Gaussian] [关贴]紧急求助 (0/366) 学员jDhte6 2011-08-24 2011-08-24 11:01:11 by zwnjust
[Gaussian] [已完结]请教原子对分子轨道的贡献比例的求算 (2/542) vrichard 2011-08-22 2011-08-23 19:47:43 by zhou2009
[Gaussian] [已完结]是否是过渡态？ (2/370) dogone 2011-08-17 2011-08-23 10:23:00 by dx357
[Gaussian] [已完结][关贴]gaussian 结构优化不收敛怎么处理 (5/1527) rdw00 2011-08-15 2011-08-22 19:35:59 by rdw00
[Gaussian] [已完结]酰胺六元环合过渡态构象问题 (0/466) wslnwzj 2011-08-22 2011-08-22 19:19:48 by wslnwzj
[Gaussian] [已完结]求科普：什么是SOMO (4/2563) Rosk 2011-08-22 2011-08-22 16:15:51 by zhou2009
[Gaussian] [已完结]关于催化剂建模问题 (1/370) herarysara 2011-08-17 2011-08-22 15:00:05 by lys810509
[Gaussian] [已完结]spin contaminant审稿意见回复 (3/1015) Rosk 2011-08-22 2011-08-22 12:24:12 by fatpig8832
[Gaussian] 高斯计算错误，link die l923.exe (4/1316) liuyusuc 2011-05-21 2011-08-22 09:07:53 by springxa
[Gaussian] [已完结]如何计算电子跃迁对应的两轨道间的空间重（叠）合度 (6/749) xzxueren 2011-08-18 2011-08-21 18:17:41 by xzxueren
[Gaussian] [已完结]高斯基组LANL2DZ，Hay-walt MB (n+1)ECP ，Hay-walt VDZ (n+1)ECP三个基组相同吗？ (3/1372) manyyesok 2011-08-09 2011-08-21 10:20:11 by manyyesok
[Gaussian] [已完结]氧化还原电位的计算方法 (0/2105) nanopg 2011-08-20 2011-08-20 20:18:48 by nanopg
[Gaussian] [已完结]请教高斯的轨道问题 (1/340) pyy39518768 2011-08-18 2011-08-20 20:04:15 by 卢黄华
[Gaussian] [已完结]请教之Defaulting to unpruned grid for atomic number (1/4136) sqh929 2011-05-28 2011-08-20 19:36:53 by oyljw
[Gaussian] [已完结]判断自由基位置 (9/2127) liuyusuc 2011-08-13 2011-08-19 18:50:21 by liuyusuc
[Gaussian] [已完结]请教一个统计热力学知识，谐振子近似？ (0/525) 左边8399 2011-08-19 2011-08-19 15:25:19 by 左边8399
[Gaussian] [已完结]前线轨道分析求解惑 (3/560) spring965 2011-08-13 2011-08-19 10:44:23 by zhou2009
[Gaussian] [已完结]溶剂状态下的频率计算l1110错误 (1/592) hukaizzu 2011-08-19 2011-08-19 10:39:27 by 任越峰
[Gaussian] TDDFT 基态时三重态 (1/764) tiechong 2011-08-19 2011-08-19 00:53:14 by beefly
[Gaussian] [已完结]求教 (0/140) rancong 2011-08-18 2011-08-18 21:04:45 by rancong
[Gaussian] [已完结]问个很菜的。。GAUSSIAN的B3P86来优化阴离子时，需不需要加U？ (2/709) totoymy 2011-08-18 2011-08-18 19:55:43 by 奔鲨
[Gaussian] [已完结][关贴]哪些软件可以做Molecular Dynamics和Conformational Searching (2/487) a13738053065 2011-08-15 2011-08-18 16:18:13 by linzhongaiguo
[Gaussian] [已完结]求助荧光计算发射波长值与实验差别比较大 有50nm，怎么办？ (3/1338) s060604014 2011-08-12 2011-08-18 14:46:11 by songp295
[Gaussian] [已完结]请问利用gaussian优化结构后，如何计算该分子electronic energy (0/263) riodiego 2011-08-17 2011-08-17 21:20:45 by riodiego
[Gaussian] [已完结]關於使用 Gaussian/ZINDO 計算 UV-vis (2/703) superAchung 2011-08-14 2011-08-17 18:53:19 by yongleli
[Gaussian] 【求助】GAUSSIAN 势能面扫描出错The SCF is confused (4/1199) 醒目苹果倪1707 2011-01-14 2011-08-17 12:24:36 by 游子8921
[Gaussian] [已完结]我用Gaussview打开输出文件，为甚么只显示原子，键都不显示，怎么样就显示键了 (3/614) jujiao201060 2011-08-15 2011-08-16 21:05:32 by beefly
[Gaussian] 找中科大郭庆祥老师课题组的学生 (4/1165) 天下枫叶 2011-07-19 2011-08-16 10:21:26 by happychen3568
[Gaussian] [已完结]能否稍微看一下這個檔案 (5/433) superAchung 2011-08-15 2011-08-16 01:28:44 by sobereva
[Gaussian] 仿鱼妃，一个昨天（8/13）的对话 (3/578) coolrainbow 2011-08-14 2011-08-15 21:56:22 by zhangfq7112
[Gaussian] [已完结]配位化合物单点能、前线轨道能级、原子电荷等计算输入命令设置问题 (0/546) ljmmarise 2011-08-15 2011-08-15 21:13:30 by ljmmarise
[Gaussian] 求助溶剂效应的实验值 (0/205) liuhuisfp 2011-08-15 2011-08-15 20:21:54 by liuhuisfp
[Gaussian] [已完结]高斯计算校正因子的问题 (0/428) xingbuzhe 2011-08-15 2011-08-15 16:51:50 by xingbuzhe
[Gaussian] 八配位立方体构型画法 (0/1221) zhufayan 2011-08-15 2011-08-15 11:38:42 by zhufayan
[Gaussian] [已完结]关于校正因子 (3/949) jingetiema61 2011-08-15 2011-08-15 10:42:43 by jingetiema61
[Gaussian] gaussian频率归属 (2/360) zhufayan 2011-07-24 2011-08-15 08:51:40 by zhufayan
[Gaussian] [已完结][关贴]让过渡态飞的慢一点！ (9/1692) vividelife 2011-06-22 2011-08-14 22:51:00 by vividelife
[Gaussian] [已完结]关于离解能单位转换的问题 (3/457) wjlsj258 2011-08-11 2011-08-14 16:25:12 by 奔鲨
[Gaussian] [已完结]spectroscopic constants 代表什么物理意义 (0/243) wjlsj258 2011-08-13 2011-08-13 15:44:47 by wjlsj258
[Gaussian] [已完结]含I化合物如何使用混合基组计算？ (0/467) ytwen 2011-08-13 2011-08-13 11:35:47 by ytwen
[Gaussian] [已完结]关于guassian中zindo输入关键词的问题 (0/404) zhugezilong 2011-08-10 2011-08-13 09:51:27 by zhugezilong
[Gaussian] [已完结]计算终止 (0/357) 不喜欢豆芽 2011-08-11 2011-08-13 09:39:15 by 不喜欢豆芽
[Gaussian] [已完结]关于oniom计算中能量的问题 (0/703) charityqi 2011-08-12 2011-08-12 21:37:52 by charityqi
[Gaussian] [已完结][关贴]计算晶体怎样减少键长键角的相对误差？怎样确定中心原子周围键的键组成？ (4/1619) oyljw 2011-07-20 2011-08-12 20:39:00 by oyljw
[Gaussian] [已完结]急急急！！！！计算得到的紫外计算结果如何为变成曲线图？ (1/536) s060604014 2011-08-12 2011-08-12 08:47:11 by nwwolfchj
[Gaussian] [已完结]请教各位大侠，如何进行势能面交叉计算？请指教啊！急急急！！！ (2/576) Captain-Jack 2011-08-11 2011-08-12 08:42:51 by yangfan0818
[Gaussian] 请教下，刚博士毕业发表两篇JCTC，能找到什么样高校里工作？ (0/393) onetenor 2011-08-11 2011-08-11 14:01:47 by onetenor
[Gaussian] [已完结][关贴]优化出故障怎么解决啊 (4/593) 天下枫叶 2011-07-31 2011-08-11 12:48:24 by 天下枫叶
[Gaussian] [已完结]GVW中打开fchk文件时出错，求助各位大侠 (3/744) 604179362 2011-08-07 2011-08-11 12:14:26 by daiyulan85
[Gaussian] [已完结]小分子分解能用高斯软件进行模拟吗？ (2/477) 兰亭の序 2011-08-10 2011-08-11 09:27:54 by linzhongaiguo
[Gaussian] [已完结]几何优化问题 (2/458) jingetiema61 2011-08-10 2011-08-10 21:39:23 by jingetiema61
[Gaussian] [已完结]多体构型优化中BSSE对结果的影响 (1/391) starry99 2011-08-07 2011-08-10 12:47:00 by 江山如画
[Gaussian] [已完结]过渡态计算 (9/983) lm214019 2011-08-05 2011-08-10 11:20:06 by lm214019
[Gaussian] [已完结]扫描不同二面角的能量时，相应的频率怎么计算 (1/164) liudiwen 2011-08-08 2011-08-09 19:39:38 by michaelHF
[Gaussian] [已完结]碳正离子自旋度是多少 (3/617) rock0927 2011-08-08 2011-08-09 09:33:21 by Quan.
[Gaussian] [已完结]300金币求高手帮忙计算两个输入文件 (4/454) il701 2011-08-08 2011-08-09 09:04:15 by springxa
[Gaussian] [已完结]混合基组中,如何读入前一基组的CHK文件? (4/1441) zhficcas 2011-08-07 2011-08-08 15:00:34 by fatpig8832
[Gaussian] [已完结]chk转化为fchk时出错，求助各位大侠 (2/402) 604179362 2011-08-07 2011-08-08 11:53:36 by springxa
[Gaussian] [已完结]高斯关闭后又开一新程序 怎么恢复以前的计算 (0/707) ldzh0531 2011-08-07 2011-08-07 19:33:13 by ldzh0531
[Gaussian] 【求助】Gaussian IR计算的默认温度 (5/1105) guohui_Hao 2011-03-06 2011-08-07 09:45:39 by linzhongaiguo
[Gaussian] [已完结]新手急求 <运行刚开始出现2070错误> (1/836) Gau_ssian 2011-08-06 2011-08-06 11:38:48 by fatpig8832
[Gaussian] [已完结]DFT方法如何算同位素效应？ (0/1315) dlstella 2011-08-05 2011-08-05 22:53:32 by dlstella
[Gaussian] [已完结]6-311++G(d,p)对应aug-cc-PVXZ里的哪个？ (2/682) kerro 2011-08-05 2011-08-05 21:23:39 by kerro
[Gaussian] [已完结]GaussView 打开输出文件后为什么 result-vibration 是灰色的? (4/2361) jujiao201060 2011-08-04 2011-08-05 10:24:27 by jujiao201060
[Gaussian] [已完结]GView打开log文件出错(楼主取消求助) (4/1899) zml2009 2011-04-30 2011-08-04 19:52:30 by zml2009
[Gaussian] [已完结][关贴]NBO分析中BD (1) 中括号中的数字代表什么？ (3/1171) shenailin 2011-06-28 2011-08-04 17:35:52 by linzhongaiguo
[Gaussian] [已完结]求高人指导关于溶剂化效应问题，求求求求求？？？？？？ (2/277) 13512385488 2011-08-02 2011-08-04 16:47:14 by chemniu
[Gaussian] 用g03的TDDFT/6-31G* 算出来的第一激发态的激发能为负值 (4/974) pashanhu105 2011-08-02 2011-08-04 16:45:51 by zhou2009
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