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    [热点] 全日制（定向）博士 卡猪猪儿 2026-01-15 刚刚
    [Gaussian] 【求助】优化L9999错误 (评阅+1) (9/1260) yuhuobuku 2008-12-19 2009-04-08 15:03:14 by yuhuobuku
    [Gaussian] 【讨论】请教虚频 (3/257) lorna639 2009-04-08 2009-04-08 14:47:50 by yyx19840628
    [Gaussian] 【求助】为什么冻结了的坐标做优化时还是会变化呢.... (9/419) railic 2009-04-04 2009-04-08 11:30:28 by railic
    [Gaussian] 【求助】（已解决）高斯报错，大家帮忙看看 (0/149) 皓儿165 2009-04-08 2009-04-08 10:53:33 by 皓儿165
    [Gaussian] 【分享】给大家一个关于高斯的博客 (20/1584) erylingjet 2008-12-27 2009-04-08 10:17:10 by cup.qzu
    [其他] 【求助】请问构象搜索用什么软件？ (4/1713) wuping7550 2009-03-31 2009-04-08 09:32:24 by yuhuobuku
    [Gaussian] 【讨论】请问分子的氢键长度长度如何计算啊 (9/1091) lorna639 2009-04-07 2009-04-08 09:15:58 by lorna639
    【讨论】请教高斯版权问题 3 (1/286) sunlb 2009-04-07 2009-04-08 02:51:45 by beefly
    【求助】大家用Gaussian算过晶体结构吗 (2/441) yaowenzhi 2009-04-02 2009-04-07 23:24:06 by hedonistful
    [Gaussian] 【求助】计算过渡态(未解决，已放弃，谢谢大家！)    ( 1 2 3 ) (29/1186) nyzhaoyin 2009-03-24 2009-04-07 22:50:22 by caipingl
    [Gaussian] 【求助】有人使过oniom的方法计算吗 (0/151) yyx19840628 2009-04-07 2009-04-07 15:46:33 by yyx19840628
    [Gaussian] 【讨论】由过渡态跑IRC找到的定点问题 (2/303) majun04 2009-04-06 2009-04-07 14:58:26 by majun04
    [Gaussian] 【求助】AOIM如何使用？[已解决] 3 (3/297) zhou2009 2009-03-27 2009-04-07 09:42:15 by zhou2009
    [Gaussian] 【求助】过渡态计算 (0/238) nyzhaoyin 2009-04-06 2009-04-06 18:53:05 by nyzhaoyin
    [Gaussian] 【求助】gaussian去呢下载啊？ (2/190) xiachi515 2009-04-05 2009-04-06 15:09:33 by nyzhaoyin
    [Gaussian] 【求助】优化时怎么能让一个变量在固定范围内变化？谢~~ (7/453) railic 2009-04-03 2009-04-06 12:09:59 by railic
    [其他] 【分享】origin教程 (金币≥6)(0/123) jinronghua 2009-04-06 2009-04-06 00:32:06 by jinronghua
    [Gaussian] 【求助】【求助】 counterpoise：BSSE小于零为负数【已放弃】 7 (3/260) 半支烟5591 2009-04-04 2009-04-05 23:21:25 by loovfnd
    [Gaussian] 【求助】【求助】冻结核选项的关键词 (1/76) sunlong650 2009-04-05 2009-04-05 21:21:04 by shuikuliu
    [版务] 【讨论】征求版主意见 (0/54) woshilsh 2009-04-05 2009-04-05 20:27:06 by woshilsh
    [Gaussian] 【求助】Os的轨道能级怎么算? (4/257) 痛苦圣十字 2009-04-02 2009-04-05 12:25:35 by Jasminer
    [Gaussian] 【求助】【求助】高斯过渡态输出文件分析 (5/505) liujie5631 2009-04-01 2009-04-05 09:58:35 by liujie5631
    [Gaussian] 【求助】过渡态优化的问题 (3/496) dralexandero 2009-03-24 2009-04-04 22:28:50 by sshadow
    [Gaussian] 【求助】关于活化能与温度的关系 (5/1002) dlstella 2009-03-26 2009-04-04 17:26:48 by 老虎大王
    [Gaussian] 【求助】[势能面扫描---已解决 (4/922) sizj 2009-04-02 2009-04-04 12:08:52 by sizj
    [Gaussian] 【求助】请问我用MPWB1K优化C6H5N,为何进行不下去啊？急求    ( 1 2 ) (10/687) lorna639 2009-03-13 2009-04-04 08:35:48 by lorna639
    [量化图形 ] 【分享】G-view3.7&4.1.2-----RF网盘下载 (评阅+2) (3/447) nyzhaoyin 2009-03-28 2009-04-04 00:08:24 by robinhoon
    [其他] 【求助】Atomistix ToolKit (0/216) robinhoon 2009-04-03 2009-04-03 23:49:53 by robinhoon
    [Gaussian] 【求助】【求助】冻结核选项 (2/91) sunlong650 2009-04-03 2009-04-03 21:03:25 by jghe
    [Gaussian] 【求助】高斯计算频率振动 (5/847) zhonglei109 2009-04-03 2009-04-03 21:01:59 by jghe
    [Gaussian] 【求助】怎么在非word文档中复制公式而没有乱码？    ( 1 2 ) (11/868) Jenny0428 2009-03-18 2009-04-03 19:33:37 by woshilsh
    [Gaussian] 【求助】算HOMO， LUMO时，如何设置路径和基组 (6/739) tritiger 2008-12-04 2009-04-03 15:39:56 by nyzhaoyin
    [其他] 【讨论】哎！还是被小木虫搞了    ( 1 2 ) (10/597) gwdavid 2009-04-01 2009-04-03 15:14:26 by lzhx510
    [Gaussian] [求助]大家帮帮忙！急！！ (3/655) 张文艳 2008-11-17 2009-04-03 12:09:10 by ZDBWHZ
    [Gaussian] 【分享】Gaussian03中的TDLDA可以计算分子或团簇的吸收谱吗？ 8 (2/139) 李许诺 2009-03-31 2009-04-03 11:58:26 by ZDBWHZ
    [量化图形 ] 【求助】【求助】：关于NBO的结果图像问题 (4/426) lcl211 2009-04-02 2009-04-03 10:37:02 by Jasminer
    [其他] 【求助】DPD模拟时如何确定粒子的相对坐标？ (0/132) liyiming9380 2009-04-03 2009-04-03 10:14:12 by liyiming9380
    [Gaussian] [求助] 关于单点能的计算有个问题请教？ (3/417) jrayty 2008-11-22 2009-04-03 09:12:47 by robinhoon
    [Gaussian] 【求助】优化体系时冻结原子坐标的关键字 (2/231) Derchief 2009-04-02 2009-04-03 09:06:09 by pllyf2006
    [Gaussian] 【求助】freq=readisotopes 温度变了，结果不变 (6/473) 36du 2008-12-09 2009-04-03 01:31:15 by ZDBWHZ
    [Gaussian] 【求助】高斯计算核磁 (5/1322) loovfnd 2009-02-11 2009-04-02 22:41:03 by lzjjlu
    [Gaussian] 【求助】高斯新手软件不会用 (2/255) liujie5631 2009-01-01 2009-04-02 22:29:02 by ZDBWHZ
    [Gaussian] 【求助】小木虫有高斯的群吗？ (1/134) oyljw 2009-04-02 2009-04-02 20:57:51 by jghe
    [Gaussian] 【求助】CO2的零点能是多少？ (6/472) sunjx 2009-02-24 2009-04-02 20:52:28 by jghe
    [Gaussian] 【求助】如果用高斯计算求出某金属（比如说钌）是否已满足18电子规则 4 (2/156) bents 2009-04-02 2009-04-02 20:43:14 by jghe
    [Gaussian] 【求助】【求助】gaussian运行中出现的问题！ (2/103) yxb727 2009-04-02 2009-04-02 20:12:22 by nyzhaoyin
    [Gaussian] 【求助】求助：利用高斯计算热力学参数 (4/585) joy412 2009-04-01 2009-04-02 18:04:17 by yxb727
    [其他] 【求助】各位老大，谁知道怎么统计图上的晶粒个数，谢谢，在线等！ (0/77) titanmax 2009-04-02 2009-04-02 17:47:11 by titanmax
    [Gaussian] 【求助】Gaussian中OK时的能量计算 (8/569) happymcn 2009-03-20 2009-04-02 17:45:21 by ZDBWHZ
    [Gaussian] 【求助】Gaussian03怎样计算激发态？ (8/1163) 蓝枫爱海 2009-03-26 2009-04-02 16:15:44 by 蓝枫爱海
    [Gaussian] 【求助】【求助】30金币求NBO和gaussian的编译    ( 1 2 ) 22 (10/556) whongj 2009-04-01 2009-04-02 13:09:49 by beefly
    [Gaussian] 【求助 】先用B3LYP进行几何优化，然后mp2计算单点能，行吗 (8/700) xiaoyu888 2009-03-29 2009-04-02 09:06:49 by xiaoyu888
    [ChemOff ] 【求助】chem3d分子结构的复制 (2/342) 瓶水之冰 2009-04-01 2009-04-01 23:55:36 by 瓶水之冰
    [版务] 【讨论】现在都有哪些专业在应用分子模拟技术 (0/86) dolphin100 2009-04-01 2009-04-01 23:16:23 by dolphin100
    [Gaussian] 【求助】利用高斯计算热力学参数 (5/1348) joy412 2009-03-12 2009-04-01 21:33:44 by joy412
    [量化图形 ] 【求助】用Gaussian View画分子构型 (6/937) jlcuit 2009-03-21 2009-04-01 19:17:26 by zhousun888
    [其他] 【求助】求助高分子模拟的PPT (0/161) alexhao9527 2009-04-01 2009-04-01 15:44:47 by alexhao9527
    [Gaussian] 【讨论】ONIOM计算 (1/400) iamsw 2009-03-31 2009-04-01 09:52:16 by robinhoon
    [其他] 【求助】求一个可以计算小分子键能的软件（molcas） (1/270) dchcun 2009-03-31 2009-04-01 08:18:19 by wuhanhgf2002
    [Gaussian] 【求助】自由基的能量该如何计算呢？ (5/453) longyun80 2009-03-31 2009-04-01 08:14:49 by wuhanhgf2002
    [Gaussian] 【求助】Infrared Spectrum 与实验的红外谱有很大的不同？ (3/703) sunjx 2009-03-22 2009-03-31 23:38:34 by 北京一叶567
    [Gaussian] 【求助】菜鸟的问题---关于高分子的单体计算的意义在于哪 (2/154) zzhenry 2009-03-31 2009-03-31 22:33:42 by zzhenry
    [Gaussian] 【求助】高斯中自带的练习 (3/347) liujie5631 2009-03-27 2009-03-31 20:03:43 by zhangwc5020
    [Gaussian] 【求助】消除虚频的问题 (3/425) 紫色雅典娜 2009-03-20 2009-03-31 19:47:50 by zhangwc5020
    [Gaussian] 【求助】高斯是否可以显示原子轨道 (3/489) handongxue1011 2009-03-30 2009-03-31 15:00:25 by zhangwc5020
    [Gaussian] 【求助】翻译 2 (0/102) zhangwc5020 2009-03-31 2009-03-31 14:57:05 by zhangwc5020
    [Gaussian] 【求助】如何进行络合物结构稳定性计算 (5/492) Ampere 2009-03-12 2009-03-31 14:26:58 by ZDBWHZ
    [Gaussian] 【求助】算分子中每个原子的电荷用什么关键词 (9/592) 小~可 2009-03-16 2009-03-31 14:24:07 by ZDBWHZ
    [Gaussian] 【求助】windows下有支持多核的高斯吗 (7/667) loveforbear 2009-03-23 2009-03-31 13:59:01 by ZDBWHZ
    [Gaussian] 【求助】 优化结构后计算红外的问题 (7/921) longyun80 2009-03-28 2009-03-31 13:37:17 by Jasminer
    [量化新手 ] 【讨论】计算软件应用中的怪异现象 (评阅+2) (3/322) 半支烟5591 2009-03-28 2009-03-31 13:27:00 by ZDBWHZ
    [Gamess/ ] 【求助】Gamess输出文件中超极化率的单位？ (3/389) minisun 2009-02-27 2009-03-31 12:09:50 by minisun
    [Gaussian] 【求助】Linux下运行IRC出问题（附输入文件） (0/199) Jldbaobei 2009-03-31 2009-03-31 10:20:20 by Jldbaobei
    [Gaussian] 【求助】PCM错误 5 (4/494) nongchaoer1852 2009-03-27 2009-03-31 09:10:23 by robinhoon
    [Gaussian] 【求助】搜过渡态，急急急！！ (9/542) liujie5631 2009-03-28 2009-03-30 21:50:54 by jghe
    [Gaussian] 【求助】分子内坐标对称性 (2/189) liujie5631 2009-03-30 2009-03-30 21:49:59 by forestwolf9291
    [Gaussian] 【求助】DFT 计算原子电离势 (3/517) forestwolf9291 2009-03-30 2009-03-30 21:46:16 by forestwolf9291
    [Gaussian] 【求助】大家看看对不对? (1/126) sculhf 2009-03-29 2009-03-30 21:46:14 by jghe
    [版务] 拟任命老虎大王为分子模拟版专家顾问 (2/119) lei0736 2009-03-30 2009-03-30 19:44:23 by physil
    [Gaussian] 【求助】 定域结构的优化问题 (3/224) whongj 2009-03-30 2009-03-30 17:16:25 by whongj
    [Gaussian] 【求助】gaussian中统一体系使用不同基组 (3/328) Derchief 2009-03-23 2009-03-30 16:22:55 by Derchief
    [量化图形 ] 【求助】GV怎样把笛卡尔坐标转换成内坐标 (6/1379) liujie5631 2009-03-29 2009-03-30 14:12:36 by liujie5631
    [其他] 【求助】如何用insightII作疏水表面 (0/85) wshbpdf 2009-03-29 2009-03-29 23:38:05 by wshbpdf
    [Gaussian] 【求助】BSSE counterpoise=3、4是否可行【已经解决】 3 (金币≥5)(3/166) 半支烟5591 2009-03-29 2009-03-29 16:08:32 by S07111072
    【分享】sybyl要开培训课了！ (19/1136) gwdavid 2008-06-27 2009-03-29 11:11:43 by 药大学徒8188
    [Gaussian] 【求助】gaussian 在linux不能运行？急急急 (6/381) penghcp 2009-03-28 2009-03-29 09:44:14 by abbott
    [其他] 【求助】寻求利用Asoen Plus 软件模拟配煤对德士古气化炉的影响 (1/119) zengxia520 2009-03-22 2009-03-28 22:46:43 by zengxia520
    [Gaussian] 【求助】高斯中的分子内坐标 (金币≥2)(6/139) liujie5631 2009-03-27 2009-03-28 22:41:07 by pllyf2006
    [Gaussian] 【求助】看到一句话，不知道对不对？    ( 1 2 ) (11/521) nyzhaoyin 2009-03-26 2009-03-28 20:01:31 by nyzhaoyin
    [Gaussian] 【求助】大家见过有研究金属－金属间弱键的文献吗？ (0/91) lizhfe2003 2009-03-28 2009-03-28 19:10:16 by lizhfe2003
    [版务] 辞职申请 (4/158) yyx19840628 2009-03-16 2009-03-28 16:44:18 by csfn
    [Gaussian] 【求助】如何采用高斯计算某一分子一个键断裂过渡态能垒 (5/576) plbfqy 2009-03-25 2009-03-28 12:50:01 by 半支烟5591
    【交流】gaussian03 UNIX运行 (0/643) 雪狼乖乖 2009-03-28 2009-03-28 12:00:59 by 雪狼乖乖
    [Gaussian] 【求助】scf is confused? (1/96) zm_tbw 2009-03-27 2009-03-28 09:01:06 by erylingjet
    [Gaussian] 【求助】关于激发态偶极矩 (7/1124) kite2005 2009-03-24 2009-03-27 16:31:02 by yuxuan1976
    [Gaussian] 【求助】高斯能计算DOS吗？ (6/568) nyzhaoyin 2009-03-27 2009-03-27 14:40:14 by nyzhaoyin
    [Gaussian] 【求助】Fukui functions？？ (0/149) nyzhaoyin 2009-03-27 2009-03-27 14:38:33 by nyzhaoyin
    [Gaussian] 【求助】急急急！消虚频出现错误了！ (6/623) zyr3365754 2009-03-14 2009-03-27 12:01:59 by csfn
    [Gaussian] 【求助】请求一个502错误：） (8/506) coolrainbow 2009-03-20 2009-03-27 11:08:58 by 半支烟5591
    [Gaussian] 【求助】垂直电离势（VIP）与绝热电离势（AIP）区别 (4/907) sculhf 2009-03-11 2009-03-27 10:50:53 by sculhf
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