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    [热点] 萌生出自己或许不适合搞科研的想法，现在跑or等等看？ DonYankess 2026-01-15 刚刚
    [其他] 【交流讨论】Trpos 公司新推出MUSE (4/356) allright8937 2009-03-13 2009-03-14 01:06:45 by liuyihua
    [Gaussian] [关贴]【求助】请高手指引 (2/127) miazl 2009-03-13 2009-03-13 23:44:10 by xuefei06
    [Gaussian] 【求助】优化完成后结构为什么变乱了 (5/489) longyun80 2009-03-13 2009-03-13 23:41:03 by xuefei06
    [量化图形 ] [专家] 【求助】GV打不开.chk文件 2 (5/546) jiewei 2009-03-13 2009-03-13 21:43:52 by zuoyinglin
    [Gaussian] 【分享】磁化学 (3/712) miaoskypop 2009-03-13 2009-03-13 21:02:49 by miaoskypop
    [Gaussian] 【求助】使用高斯计算键离解能 (6/1525) ghcacj 2009-03-10 2009-03-13 16:43:43 by loovfnd
    [NBO/AIM] 【求助】关于NBO分析 (评阅+1) (1/356) nyzhaoyin 2009-03-13 2009-03-13 16:05:53 by whongj
    [Gaussian] 【求助】输出文件发现这样一句话是怎么回事. 5 (1/154) handongxue1011 2009-03-12 2009-03-13 15:45:55 by erylingjet
    [Gaussian] 【求助】如何计算自旋密度？ (1/244) 贾贾 2009-03-13 2009-03-13 12:06:25 by recoli
    [量化图形 ] 【求助】高斯View的坐标输出 (8/1031) ZJboy 2009-02-21 2009-03-13 11:57:16 by nyzhaoyin
    [Gaussian] 【分享】Gaussian程序频率计算中的注意问题 (评阅+4) (3/712) miaoskypop 2009-03-13 2009-03-13 10:22:31 by zyr3365754
    [其他] 【讨论】有没有模拟计算空位的虫友？ 5 (3/303) goalry 2009-03-11 2009-03-13 10:17:27 by lei0736
    [Gaussian] 【求助】如何用gaussian计算SOMO轨道啊！不胜感激！！！！！！ (6/1224) flyskysky 2009-02-19 2009-03-12 22:45:35 by flyskysky
    [Gaussian] 【求助】菜鸟弱问一下 (4/254) zyr3365754 2009-03-12 2009-03-12 20:49:07 by handongxue1011
    [Gaussian] 【求助】Gaussian求助 (2/192) feiyang1210 2009-03-12 2009-03-12 19:54:45 by feiyang1210
    [Gaussian] 【求助】 Gaussian计算拉曼光谱峰的归属 1 (2/456) jdshiying 2009-03-12 2009-03-12 19:43:54 by jghe
    [Gaussian] 【讨论】关于TD关键字中的Root (4/664) Jasminer 2009-03-10 2009-03-12 12:11:41 by Jasminer
    [Gaussian] 【求助】请问有那位大侠做过付－克反应过渡态的计算吗？ 4 (5/282) xhz1967 2009-03-10 2009-03-12 11:57:21 by xhz1967
    [其他] 【讨论】建立分子模型时怎么确定单胞？ 5 (0/92) goalry 2009-03-12 2009-03-12 11:05:53 by goalry
    [Gaussian] 【求助】DFT与TDDFT (1/242) sunlong650 2009-03-12 2009-03-12 08:57:10 by jjf_sxnu
    [Gaussian] 【求助】windows下高斯多步计算 (6/434) erylingjet 2009-03-09 2009-03-12 01:20:25 by recoli
    [Gaussian] 【求助】关于零点能修正的问题 (3/524) nyzhaoyin 2009-03-11 2009-03-11 23:09:29 by nyzhaoyin
    [Gaussian] 【求助】怎样获得红外频率的数据 (5/378) yyx19840628 2009-03-11 2009-03-11 20:27:56 by jghe
    [Gaussian] 【求助】关于gaussian中的二面角扫描 3 (3/1050) wuhanhgf2002 2009-03-11 2009-03-11 17:45:22 by recoli
    [其他] 【求助】关于类药性 (评阅+1) (2/128) wuhanhgf2002 2009-03-10 2009-03-11 14:47:14 by wuhanhgf2002
    [其他] 【共享】推荐一套做分子模拟图形显示的电脑配置 (评阅+5) (3/382) wuhanhgf2002 2009-03-11 2009-03-11 14:35:40 by wuhanhgf2002
    [Gaussian] 【求助】G03中使用mPW1K方法的问题 5 (7/512) dlstella 2008-12-23 2009-03-11 11:54:09 by sdjgdu
    [Gaussian] 【求助】windows下高斯QST2输入文件的错误 3 (4/641) handongxue1011 2009-03-09 2009-03-11 11:50:24 by hjg9
    [其他] 【求助】Amber，DNA体系，运算时间 (6/415) hiwin 2009-03-10 2009-03-11 09:33:19 by Ben9908
    [其他] [关贴]求助 (1/77) sunnybomb 2009-03-10 2009-03-11 06:59:07 by tjegg
    [NBO/AIM] 【求助】NBO中的.47文件是怎么生成的？ (1/368) whongj 2009-03-10 2009-03-11 02:31:37 by snoopyzhao
    [其他] 【求助】请问这样的图是用什么软件做出来的？ (8/609) wuhanhgf2002 2009-03-07 2009-03-10 23:46:18 by xuefei06
    [版务] 【版主任命】任命yuhuobuku 为分子模拟版实习斑竹    ( 1 2 ) (13/368) csfn 2009-02-19 2009-03-10 16:53:24 by xy_zuo
    [Gaussian] 【求助】l103报错 (8/694) crystalzjy 2009-03-04 2009-03-10 10:56:40 by crystalzjy
    [Gaussian] 【求助】DFT与TDDFT (0/145) sunlong650 2009-03-10 2009-03-10 09:15:31 by sunlong650
    [Gaussian] 【求助】windows环境下可以用混合基组运算吗 (8/536) longyun80 2009-03-08 2009-03-09 21:10:54 by longyun80
    [Gaussian] [关贴]【求助】 拉曼峰归属问题 3 (1/279) jdshiying 2009-03-09 2009-03-09 20:54:44 by loovfnd
    [Gaussian] 【求助】Gaussian03W自带的test job文件的说明在哪里可以找到    ( 1 2 ) (15/806) freshgirl 2008-11-29 2009-03-09 19:42:08 by snoopyzhao
    [Gaussian] 【求助】电子自旋极化密度怎么得到？ (5/381) zsyf 2009-03-08 2009-03-09 19:14:51 by 贾贾
    [Gaussian] 【交流】高斯交流群 (评阅+2) (5/189) hczheng899 2009-02-26 2009-03-09 18:10:27 by sunjx
    [关贴]有sybyl 视频教程吗? 1 (金币≥1)(5/211) allright8937 2009-03-04 2009-03-09 16:00:46 by allright8937
    [Gaussian] 【求助】过渡态优化是总是出错 (5/359) robinhoon 2009-03-05 2009-03-09 10:58:11 by robinhoon
    [Gaussian] [关贴]如何计算 自旋轨道藕合 (2/133) zhouzhongjunzzj 2009-03-08 2009-03-09 08:36:37 by lixiaona158
    [其他] 【求助】求助关于图形显示 (评阅+1) (7/325) patent 2009-03-08 2009-03-08 22:59:20 by gwdavid
    [Gaussian] ［求助］QST2出现9999的错误怎么办? (评阅+1) (2/156) handongxue1011 2009-03-08 2009-03-08 17:20:20 by yuhuobuku
    [其他] [关贴]同样画图求助？ 1 (3/387) nwwolfchj 2009-03-08 2009-03-08 16:49:17 by jghe
    [Gaussian] [关贴]急！请问我用MPWB1K优化氧原子，为何不下去？ (评阅+1) (1/128) lorna639 2009-03-08 2009-03-08 12:51:43 by quantumor
    [Gaussian] 【求助】斯莱特行列式的疑问 (1/359) hxy366 2009-03-07 2009-03-07 21:54:57 by jjf_sxnu
    [关贴]sybyl7.3如何建立电子数据表。已找到答案，谢谢 (0/95) swordzj858 2009-03-07 2009-03-07 20:25:49 by swordzj858
    [Gaussian] 【求助 】gaussian l402报错 (3/396) shiyanshi8795 2009-03-06 2009-03-07 17:22:05 by yuhuobuku
    [Gaussian] 【求助】计算结果中不显示原子坐标信息 (1/131) lib200410 2009-03-06 2009-03-07 17:21:38 by yuhuobuku
    [Gaussian] [关贴]如何用高斯来模拟紫外光电子谱（详细）？急！    ( 1 2 ) (评阅-2) (10/814) gonghf07 2008-11-01 2009-03-07 14:45:35 by linzhongaiguo
    [Gaussian] 【求助】ECD谱    ( 1 2 ) (10/568) changjin 2008-09-03 2009-03-07 14:16:04 by linzhongaiguo
    [关贴]关于galahad做药效团 5 (0/116) patent 2009-03-07 2009-03-07 13:22:14 by patent
    [Gaussian] [关贴]如何用TD来算ECD（电子圆二色谱） (1/470) diytkib891 2009-02-28 2009-03-07 11:33:48 by linzhongaiguo
    [Gaussian] 【求助】guass计算electrostatic potential (ESP) distribution (2/307) castep 2009-03-05 2009-03-07 10:45:19 by linzhongaiguo
    [关贴]【求助】求一篇文章全文 (评阅-3) (1/124) zhouweibin 2009-03-06 2009-03-07 03:01:17 by abbottfdu
    [Gaussian] 【求助】L114错误 (5/462) yuhuobuku 2009-03-06 2009-03-07 00:27:39 by mchen10
    [Gaussian] 【求助】高斯运行出错（读不完？）    ( 1 2 3 ) (21/780) ZJboy 2009-02-27 2009-03-06 22:26:53 by ZJboy
    [Gaussian] 【求助】怎么改呢？ (2/149) zhaideming 2009-03-06 2009-03-06 21:24:39 by recoli
    [量化图形 ] [关贴]关于Gaussview的报错- - (1/139) yetaibing 2009-03-06 2009-03-06 17:09:45 by loovfnd
    [Gaussian] 【求助】混合基组错误。。。泪奔中    ( 1 2 ) (12/458) may_gloomy 2009-03-06 2009-03-06 14:10:13 by may_gloomy
    [Gaussian] 【求助】gaussian l202报错，如何改？ (5/802) hbnuwangshuling 2009-03-04 2009-03-06 13:59:04 by mchen10
    [Gaussian] 【求助】发光光谱出现HOMO-1-HOMO 的跃迁怎么回事呢？ (7/476) lixiaona158 2009-03-04 2009-03-06 12:57:53 by lixiaona158
    [Gaussian] 【求助】该怎么说好呢？ (1/109) zhaideming 2009-03-06 2009-03-06 11:54:57 by S07111072
    [其他] 【求助】有可以计算 基团 electronegativity 电负性的工具的吗？ 5 (0/86) flyskysky 2009-03-06 2009-03-06 11:16:27 by flyskysky
    [Gaussian] 【求助】使用QST2做TS，输入命令什么格式？ (4/302) minmin_0082003 2009-03-06 2009-03-06 09:20:07 by erylingjet
    [Gaussian] 【求助】谁可以分享一下molden，没有找到可下的连接 (3/379) ahqiang 2009-03-05 2009-03-06 08:34:24 by xuhu_11
    [Gaussian] 【求助】消去虚频时候出现l502问题 (2/290) lib200410 2009-03-05 2009-03-06 00:56:26 by mchen10
    [Gaussian] [关贴]着急求助：优化收敛问题 (2/122) sxguoch 2009-03-05 2009-03-05 22:04:15 by S07111072
    [Gaussian] [关贴]改变分子结构TS还是不收敛，怎么办 (1/112) minmin_0082003 2009-03-05 2009-03-05 18:50:07 by loovfnd
    [Gaussian] 【求助】LOMO-HOMO差值大的一定就稳定吗    ( 1 2 ) (11/1480) yyx19840628 2008-12-15 2009-03-05 18:35:21 by yzcluster
    [Gaussian] 【求助】含有过度金属体系基组的选择 3 (1/256) longyun80 2009-03-05 2009-03-05 17:11:08 by minmin_0082003
    [Gaussian] 【求助】优化问题 (1/183) yuhuobuku 2009-03-05 2009-03-05 16:37:34 by loovfnd
    [Gaussian] [关贴]TD-DFT 就算激发态时出错 (7/330) ahqiang 2009-03-05 2009-03-05 16:29:35 by loovfnd
    [量化图形 ] 【求助】类似这样的图是怎么样弄出来的 13 (7/904) JOJOFIY 2009-03-04 2009-03-05 14:25:29 by tsihu
    [Gaussian] 【求助】清华著名教授吴国的量子化学计算方法课件 (1/525) sunjx 2009-03-05 2009-03-05 12:42:47 by sunjx
    [Gaussian] ［求助］关于QST2的问题 5 (1/142) handongxue1011 2009-03-05 2009-03-05 12:35:26 by mchen10
    [Gaussian] 【求助】高斯计算出虚频怎么消掉——急 (5/925) lib200410 2009-02-22 2009-03-05 12:10:35 by superdirac
    [Gaussian] 已解决【求助】linux下安装高斯出现的问题 13 (4/599) handongxue1011 2009-03-02 2009-03-05 10:58:12 by chshengyao
    [Gaussian] 【求助】高斯虚频的消除 (6/718) lib200410 2009-02-25 2009-03-05 10:20:02 by 贾贾
    [Gaussian] 【求助】计算能量时，应该加零点修正吗？ (2/182) hbnuwang 2009-03-04 2009-03-05 03:05:30 by mchen10
    [Gaussian] 【求助】弱弱的问噶子 1 (3/268) zyr3365754 2009-03-04 2009-03-04 20:58:18 by zyr3365754
    [Gaussian] 【求助】在gaussian中如何计算频率对反应坐标的投影值？ 1 (0/99) liuylyxzs 2009-03-04 2009-03-04 20:57:44 by liuylyxzs
    [Gaussian] 【求助】herringbone 结构？ (3/200) hbnuwangshuling 2009-03-04 2009-03-04 20:42:49 by hbnuwang
    [Gaussian] 【求助】用Material Studio产生的PDB文件导入GaussView出错 (5/845) freshgirl 2009-03-03 2009-03-04 20:14:49 by jghe
    [其他] 【求助】ms图像不能转动 (2/114) hxwyy2005 2009-02-06 2009-03-04 20:11:23 by jghe
    【求助】基组的矫正因子【GAUSSIAN03】 (3/358) 雪狼乖乖 2009-03-04 2009-03-04 17:07:30 by coolrainbow
    [版务] [专家] 【分享】Molecular Operating Environment v2008.10 下载 (0/169) ggdh 2009-03-04 2009-03-04 14:30:01 by ggdh
    [Gaussian] 【求助】计算预测反应机理 3 (4/408) weiluo1228 2009-03-04 2009-03-04 14:00:34 by weiluo1228
    [Gaussian] 【求助】请教两种基组的区别 (4/322) linxi1454 2009-03-04 2009-03-04 11:36:09 by zuoyinglin
    [量化图形 ] 【求助】GaussianView反映的键连关系有误 (7/1115) ZJboy 2009-03-01 2009-03-04 10:00:46 by 虚谦
    【求助】关于Sybyl 的打分函数 (4/556) 学员rmDwr3 2009-03-02 2009-03-04 09:25:25 by xinkongkong_007
    [NBO/AIM] 【求助】NBO分析 1 (2/328) yuyu7926 2009-03-03 2009-03-03 17:26:59 by loovfnd
    [Gamess/ ] 【求助】Gamess软件的LINUX和WINDOWS版本的问题 (5/551) peptide2882 2009-03-02 2009-03-03 15:48:30 by peptide2882
    [Gaussian] 【求助】Gaussian中Atom list editor中参数的含义？ (4/621) walton 2009-02-28 2009-03-03 10:50:35 by walton
    [Gaussian] 【求助】Gaussian如何确定各原子的坐标！ (评阅-10) (8/679) longyun80 2009-03-02 2009-03-03 09:33:39 by longyun80
    [量化图形 ] 【求助】这样的图是怎样做出来的啊？ (8/461) pengjuan296 2009-03-02 2009-03-03 09:28:25 by 虚谦
    [其他] [关贴]热烈祝贺gwdavid担任分子模拟版正式斑竹~~~金币发放中    ( 1 2 3 4 5 6 .. 12 ) (110/1170) csfn 2009-01-05 2009-03-03 08:48:50 by csuhcb2000
    [Gaussian] 【求助】涉及赝势复合物的过度态计算 1 (3/348) xuhu_11 2009-03-01 2009-03-03 08:34:44 by xuhu_11
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