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[热点] CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优 雨念 2026-02-07 刚刚
[Gaussian] [已完结]Effective core potentials (0/799) 4010808 2012-10-13 2012-10-13 09:35:21 by 4010808
[Gaussian] [已完结][关贴]ntrex1：Bad file descriptor (3/3844) leospindrift 2012-04-26 2012-10-13 06:10:13 by 倩430
[Gaussian] [已完结]高斯计算荧光 (0/883) joeyphone 2012-10-11 2012-10-12 20:40:20 by joeyphone
[Gaussian] [已完结]50金币 寻找过渡态求助，请高手们指点    ( 1 2 ) (11/1117) li_shuangyan 2012-10-09 2012-10-12 16:49:35 by sesy
[Gaussian] [已完结]新手想用ECD计算绝对构型 求指点 应该从什么地方入手 (0/393) genghuichun 2012-10-12 2012-10-12 11:08:55 by genghuichun
[Gaussian] [已完结]用高斯计算分子的磁性大小 (0/987) liyunxia6688 2012-10-12 2012-10-12 10:23:49 by liyunxia6688
[Gaussian] [已完结]离子液体的密度 (0/219) smile_sky 2012-10-12 2012-10-12 10:17:27 by smile_sky
[Gaussian] [已完结]gaussview 出现“Failed to read fragment file”问题的解决办法 (5/4085) tiancj 2012-03-26 2012-10-12 07:46:13 by 伊雪张
[Gaussian] [已完结]求建模文件 (0/162) zhurl123 2012-10-11 2012-10-11 21:16:35 by zhurl123
[Gaussian] [已完结]量子化学 键能 (8/1169) appletree 2012-10-07 2012-10-11 19:15:13 by 奔鲨
[Gaussian] [已完结]优化盐分子用什么泛函 (0/303) Andsharia 2012-10-11 2012-10-11 17:19:55 by 赵红霞
[Gaussian] 【求助】Al6 cluster求助！    ( 1 2 ) (12/1006) wang0912302 2010-07-28 2012-10-11 15:25:36 by yuanzhiqin.119
[Gaussian] [已完结]优化计算顺利完成，但chk文件打开出错 (1/373) zhurl123 2012-10-11 2012-10-11 15:23:12 by zhurl123
[Gaussian] 【求助】如何将电脑联在一起做高斯计算 (10/2074) junjun131407 2010-11-30 2012-10-11 15:10:32 by liguanghua
[Gaussian] [已完结]频率计算出现了这个错误提示 (6/650) zhurl123 2012-10-09 2012-10-11 14:58:40 by zhurl123
[Gaussian] 【求助】如何计算有机小分子的三重态能级（T1-S0）？    ( 1 2 ) (12/5325) xtdut 2009-11-06 2012-10-11 12:23:25 by gxj617
[Gaussian] [已完结]求各位找篇文献 (0/182) leon11012 2012-10-11 2012-10-11 10:59:57 by leon11012
[Gaussian] [已完结][关贴]如何做出模拟的光谱呢求各位大神 (1/232) 铁甲威虫 2012-10-10 2012-10-11 10:04:17 by 铁甲威虫
[Gaussian] [已完结]势能曲线问题求助 (0/218) 红色石头6739 2012-10-10 2012-10-11 08:15:30 by 红色石头6739
[Gaussian] 【求助】如何计算线性分子的Renner-Teller效应 (QC强帖+1)(4/1435) mojie1987 2011-01-24 2012-10-11 05:27:38 by luqing6879
[Gaussian] [已完结]求助有关黄酮类的文献 (1/401) haifengshi 2012-10-10 2012-10-10 23:25:47 by 铁甲威虫
[Gaussian] 势能面扫描用半经验或分子力场来可以吗？ (3/1054) weifengytfh 2012-10-09 2012-10-10 22:30:56 by 游子8921
[Gaussian] 高斯计算出错 (8/646) 111222000 2012-10-10 2012-10-10 22:06:51 by 111222000
[Gaussian] [已完结]含Sm体系计算出错！求解！ (4/928) stalart 2012-09-28 2012-10-10 21:51:10 by stalart
[Gaussian] [已完结]NICS结果疑问 (3/807) cug_zhang 2012-10-10 2012-10-10 21:48:54 by lihb734
[Gaussian] [已完结][关贴]gaussian的bug？优化出来的的分子最后变成一个球，贴出来大家帮我分析一哈 (4/1029) 467266420 2012-10-09 2012-10-10 18:57:08 by 467266420
[Gaussian] [已完结]Gaussian03 做一篇本科毕业论文    ( 1 2 ) (14/1285) 铁甲威虫 2012-10-02 2012-10-10 10:49:18 by gujing136
[Gaussian] 觉得应该搞个“Gaussain运行错误合辑”指出具体错误的含义、原因以及解决办法 (8/863) killer287612 2012-10-08 2012-10-10 10:14:12 by wanguangli
[Gaussian] [已完结]gaussian怎么画铵根离子呢？ (4/2490) wyb930 2012-10-08 2012-10-10 09:22:31 by 飞行鸟
[Gaussian] [已完结]Gaussian view 不能运行    ( 1 2 ) (13/1681) yuyin2008 2012-10-04 2012-10-10 08:27:39 by yuyin2008
[Gaussian] [已完结]关于计算open shell 体系的问题 (6/1195) haixia689 2012-10-03 2012-10-10 03:43:53 by haixia689
[Gaussian] 高斯计算中分子轨道问题 (6/2689) 312080310 2012-04-11 2012-10-09 21:55:22 by ZJboy
[Gaussian] [已完结]请问1-戊烯酸最常见那种构型？ (3/535) dreamer314 2012-10-05 2012-10-09 18:58:46 by lishijunzong
[Gaussian] [已完结]过渡态之后中间体比过渡态能量还高怎么办？ (8/1979) xpz0216 2012-07-04 2012-10-09 13:20:34 by zhaoyxcas
[Gaussian] [已完结][关贴]诚求Gaussian师父带新手！    ( 1 2 ) (14/1179) huaxue_大牛 2012-10-07 2012-10-09 12:45:10 by huaxue_大牛
[Gaussian] [已完结]我是个初学者，求各位高手看看这个实例哪里错了 (7/1182) lorlee 2012-10-08 2012-10-09 11:49:50 by 医无止境
[Gaussian] 11122 (0/257) jingetiema61 2012-10-09 2012-10-09 10:47:57 by jingetiema61
[Gaussian] [已完结]降低Ni的电子云密度 (1/577) yuxinbin 2012-10-08 2012-10-08 23:48:39 by sobereva
[Gaussian] 高斯版本问题 (0/350) 111222000 2012-10-08 2012-10-08 17:14:27 by 111222000
[Gaussian] [已完结]Gaussian09 中选择溶剂时能否选择氘代过的溶剂 (6/1391) pink877623 2012-09-24 2012-10-07 18:18:42 by wxb711320
[Gaussian] [已完结]菜鸟求教：计算方法选择 (6/1077) aqyzgsab 2012-09-26 2012-10-07 18:16:49 by wxb711320
[Gaussian] [已完结]热力学单位换算 (2/979) cug_zhang 2012-10-05 2012-10-06 20:30:04 by cug_zhang
[Gaussian] [已完结]各位大侠帮帮忙，请问高斯计算中Alpha MOs 和Beta MOs分别是指的是什么？ (2/5221) meimeihappy 2012-10-05 2012-10-06 14:15:26 by 陈锋870212
[Gaussian] [已完结]怎样查某个学校是否有Gaussian程序的授权 (4/1535) 快乐至上7868 2012-07-14 2012-10-06 08:47:11 by blacksep
[Gaussian] [已完结]cis计算激发态频率出错 (2/314) liuzhengjun0427 2011-10-09 2012-10-05 19:35:04 by 139564@chen
[Gaussian] [已完结]一台服务器中建立的几个用户之间互相影响    ( 1 2 3 ) (22/1291) yangwenpeng 2012-09-29 2012-10-05 17:35:46 by 我的小名
[Gaussian] [已完结]求guass 03或guass 09 及gusaaview for linux软件 (1/625) hjh3385 2012-09-21 2012-10-05 12:26:10 by wang-yongtao
[Gaussian] 绝热电离能和垂直电离能 (2/2678) kent1022 2012-10-03 2012-10-05 11:58:46 by kent1022
[Gaussian] [已完结]高斯2070错误 (2/3716) zhurl123 2012-10-02 2012-10-04 19:26:56 by zhurl123
[Gaussian] 内存设置的问题 (0/306) kent1022 2012-10-03 2012-10-03 23:32:29 by kent1022
[Gaussian] [已完结]计算二噁英求助 (3/749) Majere 2012-10-01 2012-10-02 10:32:25 by Majere
[Gaussian] [已完结]NBO问题 (0/445) lingznpmg 2012-09-29 2012-10-02 09:22:47 by lingznpmg
[Gaussian] [已完结]算两个DNA碱基之间平行重叠 的电荷耦合 请问怎么选取结构啊 (0/164) plafalines 2012-09-29 2012-10-02 09:22:09 by plafalines
[Gaussian] 有人用gaussian 09 B01版本做过激发态（S1）的优化吗？ (4/672) rebeccamee 2012-09-18 2012-10-02 08:47:34 by pwzhou
[Gaussian] [已完结]GaussView中静电势的单位 (1/2529) vigaryang 2012-09-23 2012-09-30 22:23:03 by ZJboy
[Gaussian] 【讨论】用GO3做TD-DFT优化激发态怎么弄 (20/2830) renxingye 2011-02-27 2012-09-29 18:22:19 by beefly
[Gaussian] [已完结][CoCl4]2- 用什么方法算 (5/665) kxhanna 2012-09-24 2012-09-29 07:28:01 by kxhanna
[Gaussian] [已完结]Gaussian算NBO怎么读电荷转移，可追加金币 (1/1323) wynli 2012-09-26 2012-09-28 14:59:30 by dukelr
[Gaussian] 【求助】TD-DFT 优化求救 (7/2197) snoopyzhao 2010-05-27 2012-09-28 14:04:05 by yangwenpeng
[Gaussian] [已完结]高斯view无法看振动 (1/659) gnli 2012-09-24 2012-09-28 13:58:19 by sch
[Gaussian] [已完结][关贴]高斯软件计算聚合物    ( 1 2 ) (16/4995) damihu2011 2012-07-09 2012-09-28 13:04:31 by damihu2011
[Gaussian] [已完结]量化中的溶剂效应，什么情况加 (3/1424) zhaoyxcas 2012-09-17 2012-09-27 11:13:39 by gongxd325
[Gaussian] [已完结]生成热与分子的对称性有关系么? (2/244) invincibly 2012-09-24 2012-09-27 09:20:43 by invincibly
[Gaussian] 【求助】激发态计算出错    ( 1 2 ) (12/1973) lixiaona158 2010-07-22 2012-09-26 22:03:14 by ZJboy
[Gaussian] [已完结]win 64 gauss03 gaussview (0/356) coyboy1 2012-09-25 2012-09-26 21:09:48 by coyboy1
[Gaussian] 关于分子静电势ＭＥＰ？ (0/937) 小山丫丫 2012-09-22 2012-09-26 21:08:18 by 小山丫丫
[Gaussian] [已完结]求助：算BSSE校正，死在l913 请问有什么解决办法？ (0/369) renhe998 2012-09-15 2012-09-26 21:08:03 by renhe998
[Gaussian] cbsq计算生成韩的问题 (4/344) 111222000 2012-09-25 2012-09-26 13:43:24 by 111222000
[Gaussian] [已完结]急求怎么回答审稿人意见 (4/779) 0502114073 2012-09-24 2012-09-26 11:41:45 by pwzhou
[Gaussian] 溶剂选择 (4/464) 佳佳8905 2012-09-21 2012-09-26 08:51:46 by wang_dan1990
[Gaussian] 【求助】同样的初始结构，为什么不同的自旋多重度优化出来的结构相差很大啊    ( 1 2 3 ) (21/2530) shenhaige 2010-03-14 2012-09-26 08:38:50 by wang_dan1990
[Gaussian] 关于SMD计算溶剂化能 (9/1265) wenxianliu 2012-09-24 2012-09-25 23:18:03 by chesterliu
[Gaussian] [已完结]求配置，用于Gaussian预算7000~8000 (3/486) benzbenz 2012-09-24 2012-09-25 21:16:51 by gengcy
[Gaussian] [已完结]怎么计算拉曼散射强度？ (0/2476) yangwenpeng 2012-09-25 2012-09-25 21:07:12 by yangwenpeng
[Gaussian] 高斯精确能量计算问题 (4/564) 111222000 2012-09-23 2012-09-25 20:36:12 by 111222000
[Gaussian] [已完结]DFT计算过程中断，如何接着算 (3/1527) xpz0216 2012-09-25 2012-09-25 20:14:43 by xpz0216
[Gaussian] [已完结]高斯总是计算出空文件 (9/798) yangwenpeng 2012-09-23 2012-09-25 20:06:09 by yangwenpeng
[Gaussian] 【求助】拉曼强度的问题 (3/783) henuhaog 2010-06-15 2012-09-25 17:09:52 by yangwenpeng
[Gaussian] [已完结]使用g09中的CASSCF计算激发态？ (6/2534) suosuosky 2012-03-09 2012-09-25 13:05:29 by xia036936
[Gaussian] [已完结]我优化完是双键，文献里优化是三键    ( 1 2 ) (14/1510) wynli 2012-09-23 2012-09-25 11:44:07 by 飞行鸟
[Gaussian] [已完结]结合能比文献上的大很多 (8/1088) wynli 2012-09-24 2012-09-25 10:13:55 by wynli
[Gaussian] [已完结]高斯计算的熵是偏高还是偏低？ (8/1662) ifree 2012-08-23 2012-09-25 00:20:12 by djj791654463
[Gaussian] [已完结][关贴]分子间（内）电子迁移的相关问题 (1/318) sunzzlj 2012-09-19 2012-09-24 21:02:18 by sunzzlj
[Gaussian] [已完结]用B3LYP和UB3LYP计算垂直激发能的结果很不一样。哪种算法合理呢？    ( 1 2 ) (15/1911) huangshp 2012-09-20 2012-09-24 20:31:59 by beefly
[Gaussian] [已完结][关贴]关于结构优化和分子能量的计算 (3/771) Nocturne 2012-09-11 2012-09-24 15:58:12 by Nocturne
[Gaussian] [已完结]氨基酸和混合溶剂形成的氢键问题 (7/1632) 落枫4161296 2012-09-20 2012-09-24 15:39:45 by vigaryang
[Gaussian] [已完结]求文献 (0/203) liping888 2012-09-24 2012-09-24 10:32:27 by liping888
[Gaussian] [已完结][关贴]gaussview里的homo和lumo轨道不能查看的问题    ( 1 2 3 4 ) (38/8871) qyyos 2012-05-03 2012-09-24 05:48:00 by qyyos
[Gaussian] [已完结][关贴]Gaussian 计算错误 (4/1614) lucky560 2012-09-23 2012-09-24 00:16:28 by chembetsey
[Gaussian] 求助G03 C.02版本软件 (3/429) 111222000 2012-09-22 2012-09-23 22:41:36 by jinyanzi20
[Gaussian] [已完结]IRC曲线 (1/875) ivylxjlove 2012-09-23 2012-09-23 21:03:46 by G03W
[Gaussian] [已完结]link1703 (2/368) a小兔儿a 2012-09-21 2012-09-23 19:40:33 by 左手疗伤
[Gaussian] 高斯中为自旋向上和向下的分别指定不同的基组。 (6/1110) zhangguangping 2012-09-22 2012-09-23 14:45:33 by zhangguangping
[Gaussian] [已完结]高斯09中的L502出错的问题 (5/2373) 源丽 2012-03-26 2012-09-22 16:49:22 by 小笑笑
[Gaussian] [已完结]irc验证 (5/813) 至秦helen 2012-06-15 2012-09-22 14:13:42 by hlq3175
[Gaussian] [已完结]溶剂化效应输入 (6/2284) 雨萍 2012-04-06 2012-09-22 12:41:40 by wenxianliu
[Gaussian] [已完结]高斯优化过渡态，有两个虚频，一个想要，想把另一个消掉-----请高手指点    ( 1 2 ) (VIP≥255)(10/213) 轩辕重出江湖 2012-09-19 2012-09-21 18:08:51 by oyljw
[Gaussian] [已完结]gaussview保存文件的时候出现问题，请问应该怎么解决 (1/3395) 萱月琪琪 2012-09-13 2012-09-21 16:46:06 by gujing136
[Gaussian] [已完结][关贴]做scan时怎么保持两个原子间键长不变 (7/1456) 银色蒲公英 2012-09-20 2012-09-21 13:57:46 by chuanan027
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