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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] [已完结][求助]如何在guassian03中引入Lennad-Jones parameters? (0/220) hlq3175 2012-03-14 2012-03-20 14:34:27 by hlq3175
[Gaussian] [已完结]分子优化总是出错，请大家帮忙 (5/1327) smalldog 2011-09-23 2012-03-20 07:07:37 by showcat
[Gaussian] [已完结]有关高斯自己输入的问题基组 (1/631) knesy 2012-03-19 2012-03-19 22:25:50 by lihb734
[Gaussian] 【讨论】Gaussian09的内存控制很奇特？    ( 1 2 3 ) (28/2524) sculhf 2010-09-19 2012-03-19 22:25:35 by zml2009
[Gaussian] [已完结]求计算紫外吸收光谱和荧光发射光谱的输入文件 (0/395) babylons 2012-03-19 2012-03-19 17:33:48 by babylons
[Gaussian] [已完结][关贴]linux计算得到chk文件gaussian转化为fchk文件出错 (评阅+10) (0/641) cfk580713 2012-03-19 2012-03-19 16:31:07 by cfk580713
[Gaussian] [已完结]求甲基丙烯酸甲酯偶极距 (4/743) jokeregg 2012-03-17 2012-03-19 10:42:30 by jokeregg
[Gaussian] 过渡态搜索 (5/1035) wangyoucheng 2012-03-14 2012-03-19 09:55:42 by wangyoucheng
[Gaussian] [已完结]求教聚合物的结构优化和建模问题~~ (1/482) yanwuyu123 2012-02-01 2012-03-19 09:45:57 by damihu2011
[Gaussian] [已完结][关贴]高斯溶剂模型计算出错，望大家赐教！谢谢！ (评阅+30) (1/718) 飘逸313 2012-03-17 2012-03-18 13:20:09 by 飘逸110
[Gaussian] 势阱中的小狗，努力翻越势垒，就是翻不过去，太可爱了（gif小动画）    ( 1 2 ) (14/1861) yjcmwgk 2012-03-15 2012-03-18 10:29:12 by 张璐虹
[Gaussian] [已完结]优化结果的判断 (5/1308) crystalzjy 2012-02-22 2012-03-18 09:09:52 by 21018060
[Gaussian] [已完结]想要计算Mulliken spin density需要加什么关键词 (2/567) 365tian 2012-03-15 2012-03-16 22:18:47 by 2446306169
[Gaussian] [已完结]【求助】NBO轨道指的是nbo电荷的分布情况吗？ (3/2664) loovfnd 2012-03-14 2012-03-16 10:27:20 by zhou2009
[Gaussian] [已完结]Gaussian优化出错，求助，谢谢 (8/1997) 2311248tfw 2012-03-14 2012-03-16 00:41:01 by 2311248tfw
[Gaussian] [已完结]计算一个簇模型时，被钴原子难住了～～求教。 (7/1537) ghcacj 2012-03-15 2012-03-15 22:06:25 by zhangmt
[Gaussian] [已完结]gaussian激发能和gamess的不一样？ (2/394) Roseshu 2012-03-15 2012-03-15 21:03:18 by lihb734
[Gaussian] [已完结]L502和L508如和解？ (3/912) tudoudigua 2012-03-14 2012-03-15 17:58:01 by chenlw
[Gaussian] [已完结]找过渡态 (7/1219) happy111839 2012-03-04 2012-03-14 20:47:02 by purplez
[Gaussian] 【求助】溶剂化效应计算 (2/1089) TaoB 2010-05-13 2012-03-14 17:48:04 by hlq3175
[Gaussian] [已完结]求助：Z矩阵的写法。。。 (2/1075) xrhinoceros 2012-03-13 2012-03-14 16:10:45 by 369793730
[Gaussian] [已完结][关贴]小女子关于Gaussian 的一些问题，初涉入此方面，请老虫们口若悬河发表意见。    ( 1 2 ) (19/2363) molly0711 2011-10-25 2012-03-14 14:03:10 by alpha.yang
[Gaussian] [已完结]溶剂效应和优化过渡态的问题    ( 1 2 ) (10/2464) ldzh0531 2011-12-10 2012-03-14 13:09:21 by 369793730
[Gaussian] [已完结][Fe(ttd)2(NCS)2]．H2O分子的 ccdc代码 (1/272) li643571748 2012-03-14 2012-03-14 11:02:02 by zhou2009
[Gaussian] [已完结][关贴]高斯运行l301出错，怎么解决 (9/5101) bird37 2012-03-14 2012-03-14 10:47:54 by meteoric30
[Gaussian] [已完结][关贴]双重结构 (1/304) bird37 2012-03-14 2012-03-14 10:24:13 by meteoric30
[Gaussian] [已完结]【求助】 [Fe(ttd)2(NCS)2]．H2O分子的 ccdc代码 (0/271) li643571748 2012-03-14 2012-03-14 09:42:59 by li643571748
[Gaussian] [已完结]基组选择问题 (2/492) 秦巴农夫 2012-03-12 2012-03-13 21:56:15 by 秦巴农夫
[Gaussian] [已完结]关于resolution-of-the-identity近似？ (2/820) suosuosky 2012-03-13 2012-03-13 10:38:01 by suosuosky
[Gaussian] [已完结]新手无脑问题，希望有人解答~谢谢！（句法错误） (6/1602) 黑狼鸟 2012-03-08 2012-03-13 09:59:10 by 黑狼鸟
[Gaussian] [已完结]用g03计算溶剂化效应时,出现了l502的错误,请高手指教 (4/1380) wazhutao 2012-02-23 2012-03-13 09:57:29 by wazhutao
[Gaussian] [已完结]请教pop=reg参数和布居分析的概念 (2/2813) huangda 2012-03-12 2012-03-13 09:52:37 by huangda
[Gaussian] [已完结]GAUSSIAN中eigenvalue following(EF)的算法 (5/1207) ludeng8710 2012-03-11 2012-03-12 11:43:55 by ldzh0531
[Gaussian] [已完结]分子的总能量计算问题 (2/1224) woxiangfei 2012-03-11 2012-03-11 16:33:52 by yanrding
[Gaussian] [已完结][关贴]结构收敛与scf收敛的关系 (7/1729) ldzh0531 2012-03-05 2012-03-10 16:57:30 by yanrding
[Gaussian] [已完结]请问BSSE校正除了振动光谱（红外），还能校正紫外和荧光吗？ (1/271) NUPT 2012-03-08 2012-03-10 16:12:01 by yanrding
[Gaussian] 【求助】ECD计算 (3/784) kekexiliwolf 2011-01-11 2012-03-10 11:32:54 by takeeasy123
[Gaussian] [已完结]高斯模拟水溶液中分子相互作用 (1/736) 南方部落 2012-03-09 2012-03-10 09:51:54 by 南方部落
[Gaussian] [已完结][关贴]初级入门错误 求助 (5/1300) leospindrift 2012-03-09 2012-03-10 08:49:50 by djl2008d
[Gaussian] [已完结]关于稳定结构的计算，我遇到一个奇怪的现象 (3/1343) Captain-Jack 2011-08-12 2012-03-10 05:45:55 by Captain-Jack
[Gaussian] [已完结]Eu2+对应的电子亲和能是多少？ (7/973) ying110011 2012-03-06 2012-03-10 02:47:45 by mchen10
[Gaussian] [已完结]关于不同基组算不同原子的问题 (6/2145) daniell251 2012-03-05 2012-03-09 20:56:01 by ldzh0531
[Gaussian] [已完结]高斯对多分子体系的构型优化 (4/2563) starry99 2011-06-12 2012-03-09 17:28:51 by zhaochuanfan
[Gaussian] [已完结][求助]有关guassian view 画图 (7/2167) hlq3175 2012-03-03 2012-03-09 13:35:22 by hlq3175
[Gaussian] [已完结]高斯计算出错，如何看错在哪儿 (5/1890) duchunmei 2012-03-08 2012-03-09 11:21:20 by duchunmei
[Gaussian] [已完结]gaussian09中oniom计算结果用cubegen处理fchk文件出错 (0/1117) chinayhb 2012-03-09 2012-03-09 09:41:13 by chinayhb
[Gaussian] [已完结]NBO 电荷总数不为零 (3/1516) muxiachuixue 2012-02-17 2012-03-09 09:37:09 by quantumor
[Gaussian] [已完结]计算旋转能垒用势能面扫描之后还用找过渡态吗？我是新手，希望大家给与帮助。[/font] (3/1584) 梦话 2012-03-07 2012-03-09 08:30:04 by aimonkey
[Gaussian] [已完结]高斯中标准生成焓的求法 (1/2351) 兰亭の序 2011-11-03 2012-03-09 07:23:38 by simon_hwang
[Gaussian] 【求助】nmr=GIAO问题 (8/2421) zxl102623 2010-12-21 2012-03-09 06:16:29 by 鱼妃
[Gaussian] [已完结]Gaussian中计算anharmonic freq的步骤 (0/911) fatpig8832 2012-03-08 2012-03-08 19:01:51 by fatpig8832
[Gaussian] [已完结]gauss软件 (3/783) xihuanhuan 2012-03-05 2012-03-08 11:04:43 by xihuanhuan
[Gaussian] [已完结]使用GaussView 中的PBC 进行NaCl晶体模拟 (0/764) DHY19860208 2012-03-07 2012-03-08 10:57:57 by DHY19860208
[Gaussian] 请教一些静电势的问题 (3/2188) mamafanfan 2012-03-07 2012-03-08 10:21:07 by zhou2009
[Gaussian] [已完结]气相中的优化和真空中的优化是一样的吗？ (7/1192) linyanglin 2011-06-11 2012-03-08 06:50:10 by aimonkey
[Gaussian] [已完结]电子亲和能怎么为负的    ( 1 2 ) (11/2347) 婷婷-啦啦 2012-03-05 2012-03-07 21:32:41 by 350735697
[Gaussian] [已完结]电子亲和力与配位数的关系 (1/336) zhxiaotai 2012-03-07 2012-03-07 17:45:39 by sobereva
[Gaussian] [已完结]一个环氧化反应的放热情况，谢谢了 (9/1761) randeqiang001 2012-03-05 2012-03-07 17:16:08 by zhangmt
[Gaussian] [已完结]使用MP2方法算两分子复合物单点能和频率时的link108错误 (4/1229) dami251 2012-03-01 2012-03-07 14:48:16 by dami251
[Gaussian] 关于Gaussian并行用的TCP-Linda软件及论坛上的Gaussian版本的linda可用性讨论 (4/2150) mophyworld 2012-03-02 2012-03-07 12:21:33 by mophyworld
[Gaussian] 【求助】用GaussianView打开.fchk文件画分子轨道图时出错了怎么办？ (2/1127) yull1982 2010-05-24 2012-03-07 06:15:11 by yanglina062
[Gaussian] [已完结]求高手，单重激发态和三重激发态能级的计算方法！ (1/1306) henanzhangya 2012-03-06 2012-03-06 13:33:00 by kanhaifeng
[Gaussian] [已完结]将一个原子装入一个笼状分子，如何优化 (5/1100) wjwang123 2012-03-03 2012-03-05 20:16:18 by ldzh0531
[Gaussian] [已完结]用Gaussian计算中间体，选择其中的那种方法比较好？ (0/625) landsky 2012-03-02 2012-03-05 09:06:40 by landsky
[Gaussian] DFT-D派不厚道 (评阅+2) (4/1639) 鱼妃 2011-06-21 2012-03-05 08:58:32 by yflchx
[Gaussian] [已完结]-bash-3.2$怎么变回成name@cat$ (1/408) sunzhiguo 2012-02-24 2012-03-04 13:34:17 by tangk_2011
[Gaussian] [已完结]求助：环境工程类研究方向问题 (4/1286) mu00mu8 2012-02-29 2012-03-04 13:23:31 by mu00mu8
[Gaussian] [已完结]关于分子优化过程中的对称性问题？ (0/256) luojin7653 2012-03-04 2012-03-04 12:36:51 by luojin7653
[Gaussian] [已完结]求助！哪位高人帮忙优化一下分子结构并画出前线轨道模型~~~（重谢~） (5/1461) melva5188 2012-02-29 2012-03-03 23:03:56 by thegrimreaper
[Gaussian] 讨论G3、G4、MP2、MP4、DFT和耦合波函数方法分别用于什么计算 (3/1385) kekemi_1127 2012-03-02 2012-03-03 22:25:12 by ?堨�
[Gaussian] [已完结]用gaussview5.0.8打开out文件出错，不明白什么意思    ( 1 2 ) (15/4196) undergoer 2012-02-27 2012-03-03 20:39:12 by undergoer
[Gaussian] [已完结]gaussian计算之后出错 (4/1032) undergoer 2012-03-02 2012-03-03 20:25:17 by undergoer
[Gaussian] [已完结]求教：全优化的结构后做极化率出现l111错误，原因何在？如何解决？ (0/164) 思雨G十年 2012-03-03 2012-03-03 18:55:36 by 思雨G十年
[Gaussian] 【求助】ubuntu中安装高斯    ( 1 2 ) (18/2620) yijianglan 2010-04-19 2012-03-03 12:33:27 by mtrhb027
[Gaussian] [已完结]单点能计算求助，谢谢 (1/1279) feiyang1210 2012-03-02 2012-03-03 03:52:31 by mchen10
[Gaussian] [已完结][关贴]高斯计算DMF溶剂的ID号是什么 (5/1800) sunshinedan 2012-02-29 2012-03-02 17:33:19 by sunshinedan
[Gaussian] [已完结]频率 续算 出错    ( 1 2 ) (12/1882) nnipp 2012-02-15 2012-03-02 16:44:02 by nnipp
[Gaussian] [已完结]Gausiian初学者求助 (4/833) 水冰月1 2012-02-22 2012-03-02 16:24:26 by 水冰月1
[Gaussian] [已完结]scrf=(cosmors)不能运行么？ (0/626) 小白如水 2012-03-01 2012-03-01 21:17:04 by 小白如水
[Gaussian] [已完结]求助：oniom算法里怎么加入赝势 (0/398) liuliuji 2012-03-01 2012-03-01 16:39:19 by liuliuji
[Gaussian] [已完结]为什么SCIPCM不能算溶剂模型下的Raman？ (4/812) Captain-Jack 2012-02-27 2012-03-01 14:39:04 by Captain-Jack
[Gaussian] 开壳层计算 (2/643) lixf 2012-02-29 2012-03-01 11:38:07 by lixf
[Gaussian] [已完结]速率常数！ (0/206) zm_tbw 2012-03-01 2012-03-01 09:16:26 by zm_tbw
[Gaussian] [已完结]这个z-matrix有什么问题？？？ (2/819) astringent 2012-02-29 2012-03-01 05:12:26 by astringent
[Gaussian] [已完结]三个原子之间的势能面扫描怎么做？ (5/2264) minatomirai 2012-02-28 2012-03-01 00:35:13 by minatomirai
[Gaussian] [已完结]新机装机及软件问题 (6/1639) leospindrift 2012-02-27 2012-02-29 20:10:48 by leospindrift
[Gaussian] [已完结]求助--求几篇有关写轨道，磁矩，电荷的文章 (1/272) liping888 2012-02-29 2012-02-29 18:40:24 by zhangmt
[Gaussian] [已完结]一种物质含有羧基部分，它是否一定会与胺碱形成离子对？ (0/270) ludeng8710 2012-02-29 2012-02-29 18:39:34 by ludeng8710
[Gaussian] [已完结]高斯计算出现错误    ( 1 2 ) (10/1370) 风清扬dlut 2012-02-27 2012-02-29 18:17:41 by viger87
[Gaussian] [已完结]Gaussian中原子净电荷的指定 (3/2537) zhangxie919 2012-02-24 2012-02-29 13:47:08 by fatpig8832
[Gaussian] [已完结]scan得到的三维图转化问题 (0/285) astringent 2012-02-29 2012-02-29 04:07:21 by astringent
[Gaussian] [已完结][关贴]求关于键级的参考文献 (1/239) 604758762 2012-02-26 2012-02-28 09:33:12 by 604758762
[Gaussian] [已完结]求助Error termination request processed by link 9999. (2/862) huhucindy 2012-01-30 2012-02-28 01:09:14 by ohnesie
[Gaussian] 关于State-averaged CASSCF (3/1360) sjsznh 2012-02-10 2012-02-27 21:26:06 by 飘逸110
[Gaussian] [已完结]CPCM模型计算溶剂化效应 能量输出问题 (1/1771) lqj111 2012-02-27 2012-02-27 20:36:10 by lqj111
[Gaussian] [已完结]如何固定键长进行优化 (3/2184) luyating2005 2012-02-24 2012-02-27 19:09:06 by fg5828
[Gaussian] [已完结]用CASSCF计算激发态时轨道能不能完全限制不动，请大家分享一下经验 (1/540) 316087021 2012-02-27 2012-02-27 13:22:49 by yqzhang6518
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