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[热点] 为什么nbs上溴 没有产物点出现呢 棉花糖骆驼 2026-01-25 刚刚
[Gaussian] [已完结]gaussian怎么画铵根离子呢？ (4/2464) 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 ) (13/1678) 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 (6/2658) 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？ (3/528) dreamer314 2012-10-05 2012-10-09 18:58:46 by lishijunzong
[其他] [已完结]结构化学看不懂 (4/790) huagong071 2012-10-08 2012-10-09 18:53:04 by huagong071
[Linux应 ] [已完结]如何限制用户使用的cpu数 (3/977) sunmuer 2012-04-06 2012-10-09 18:43:52 by 我的小名
[量化新手 ] 【求助】Hammett常数 (6/836) 浮萍 2010-05-09 2012-10-09 18:24:13 by 浮萍
[Gaussian] [已完结]过渡态之后中间体比过渡态能量还高怎么办？ (8/1957) xpz0216 2012-07-04 2012-10-09 13:20:34 by zhaoyxcas
[NBO/AIM] 【讨论】NBO分析的一点点讨论 (13/2555) wang0912302 2010-11-25 2012-10-09 13:13:53 by 小热胖胖
[Gaussian] [已完结][关贴]诚求Gaussian师父带新手！    ( 1 2 ) (14/1178) huaxue_大牛 2012-10-07 2012-10-09 12:45:10 by huaxue_大牛
[ADF/Dal ] [已完结]ADF中的片段求教 (6/810) wozecheng 2012-08-28 2012-10-09 12:32:01 by yjr
[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 (7/1181) lorlee 2012-10-08 2012-10-09 11:49:50 by 医无止境
[Gaussian] 11122 (0/256) 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
[Turbomo ] [已完结]ORCA计算结果怎么看某一轨道的贡献 (8/1271) lsc84 2012-09-02 2012-10-08 20:53:18 by lsc84
[Gaussian] 高斯版本问题 (0/344) 111222000 2012-10-08 2012-10-08 17:14:27 by 111222000
[Molpro/ ] Molpro中MRCI级别参考系数的区别 (3/1524) physics7778 2012-09-28 2012-10-08 10:15:47 by lishengzhou
[Gaussian] [已完结]Gaussian09 中选择溶剂时能否选择氘代过的溶剂 (6/1386) 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 (6/1025) aqyzgsab 2012-09-26 2012-10-07 18:16:49 by wxb711320
[其他] [已完结]专业人士指教 (1/286) guozhi1989 2012-09-26 2012-10-07 17:31:33 by wxb711320
[Semi-em ] [已完结]missing nuc terms in am1 esp (0/1689) zyd-ben 2012-10-07 2012-10-07 14:18:26 by zyd-ben
[ADF/Dal ] [已完结]请问用ADF计算得到的HOMO和LUMO轨道的占据数反了怎么办，我是新手，刚开始计算    ( 1 2 ) (11/1485) wucx1234 2012-09-26 2012-10-07 11:11:53 by wucx1234
[Gaussian] [已完结]热力学单位换算 (2/967) cug_zhang 2012-10-05 2012-10-06 20:30:04 by cug_zhang
[ChemOff ] MOPAC2009在ChemOffice 2010中装好了不能用的问题 (1/933) lant06 2012-05-25 2012-10-06 17:26:55 by qianfp
[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？ (2/5220) 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 (4/1527) 快乐至上7868 2012-07-14 2012-10-06 08:47:11 by blacksep
[其他] [已完结]有没有可以查分子结构，能级，电离能等信息的数据库或网站 (6/1460) feynman1965 2012-09-19 2012-10-05 20:00:46 by dreamyeye
[Gaussian] [已完结]cis计算激发态频率出错 (2/312) 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 ) (22/1242) 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 (1/616) 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 (2/2671) kent1022 2012-10-03 2012-10-05 11:58:46 by kent1022
[Gaussian] [已完结]高斯2070错误 (2/3709) zhurl123 2012-10-02 2012-10-04 19:26:56 by zhurl123
[Turbomo ] [已完结]win7下如何做orca2.9的单机并行计算 (1/576) lsc84 2012-10-02 2012-10-04 11:15:09 by ghcacj
[SAPT/AO ] 【小卒个人文集】sapt的基本理念 (9/1642) yjcmwgk 2010-04-30 2012-10-04 01:23:00 by york2012
[Gaussian] 内存设置的问题 (0/304) kent1022 2012-10-03 2012-10-03 23:32:29 by kent1022
[其他] 《J Mol Graph Mod》这个杂志咋了？编辑部罢工了吗？ (1/474) yjcmwgk 2012-10-01 2012-10-03 13:38:21 by hakuna
[量化新手 ] [已完结]Fe4+ 和Mn4+的 d原子排布 (3/1013) brucefeng 2012-10-01 2012-10-02 15:55:13 by lishijunzong
[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 (0/441) 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 (0/163) 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？ (4/656) rebeccamee 2012-09-18 2012-10-02 08:47:34 by pwzhou
[Gaussian] [已完结]GaussView中静电势的单位 (1/2526) 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 (20/2795) renxingye 2011-02-27 2012-09-29 18:22:19 by beefly
[NBO/AIM] 【求助】AIM2000结果之分析指定原子信息 (3/690) sophia_999 2010-08-26 2012-09-29 18:12:28 by 喻儿在线
[其他] [已完结]vibrational quantum number 是什么东东？ (1/912) joyce83 2012-09-27 2012-09-29 08:16:02 by hakuna
[其他] [已完结]请问非晶态合金Ni-B的常见实验配比是多少 (0/189) 兔小阳加油 2012-09-29 2012-09-29 07:43:54 by 兔小阳加油
[量化新手 ] [已完结]基态的[CoCl4]2-有几个单电子    ( 1 2 ) (11/1184) kxhanna 2012-09-22 2012-09-29 07:29:26 by kxhanna
[Gaussian] [已完结][CoCl4]2- 用什么方法算 (5/633) kxhanna 2012-09-24 2012-09-29 07:28:01 by kxhanna
[版务] 【其他】密度泛函小卒，全身心回归咱们量化版    ( 1 2 3 ) (评阅+10) (22/1213) yjcmwgk 2010-09-28 2012-09-28 18:51:00 by 小红豆
[Gaussian] [已完结]Gaussian算NBO怎么读电荷转移，可追加金币 (1/1319) wynli 2012-09-26 2012-09-28 14:59:30 by dukelr
[Gaussian] 【求助】TD-DFT 优化求救 (7/2162) snoopyzhao 2010-05-27 2012-09-28 14:04:05 by yangwenpeng
[Gaussian] [已完结]高斯view无法看振动 (1/658) 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 ) (16/4958) damihu2011 2012-07-09 2012-09-28 13:04:31 by damihu2011
[其他] 现在小木虫的图标改的跟苍天录一样 (8/514) 雨晨田木 2012-09-25 2012-09-28 09:46:34 by daisy143
[Gaussian] [已完结]量化中的溶剂效应，什么情况加 (3/1416) zhaoyxcas 2012-09-17 2012-09-27 11:13:39 by gongxd325
[其他] [已完结]digimatic image (0/259) B612 2012-09-27 2012-09-27 10:58:33 by B612
[Gaussian] [已完结]生成热与分子的对称性有关系么? (2/239) invincibly 2012-09-24 2012-09-27 09:20:43 by invincibly
[Linux应 ] [已完结]Redhat enterprise 5下的临时文件如何删除？ (2/404) jianqin 2012-09-24 2012-09-27 09:16:32 by jianqin
[ADF/Dal ] [已完结]adf做片段分析的输出文件，关于SFO gross populations，如何查找数据和分析 (1/517) 乐逍遥741 2012-02-16 2012-09-27 09:14:29 by yjr
[Gaussian] 【求助】激发态计算出错    ( 1 2 ) (12/1937) lixiaona158 2010-07-22 2012-09-26 22:03:14 by ZJboy
[Gaussian] [已完结]win 64 gauss03 gaussview (0/355) coyboy1 2012-09-25 2012-09-26 21:09:48 by coyboy1
[其他] 在ACS中如何实现结果中搜素？ (1/315) zhouwohua 2012-09-16 2012-09-26 21:09:13 by luolun2008
[Gaussian] 关于分子静电势ＭＥＰ？ (0/936) 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 (4/336) 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 (4/768) 0502114073 2012-09-24 2012-09-26 11:41:45 by pwzhou
[其他] [已完结]Computational and Theoretical Chemistry 是几区的？ (0/1945) jjww0001 2012-09-26 2012-09-26 09:55:33 by jjww0001
[Gaussian] 溶剂选择 (4/462) 佳佳8905 2012-09-21 2012-09-26 08:51:46 by wang_dan1990
[NBO/AIM] [已完结]NBO问题！ (1/534) zm_tbw 2012-09-25 2012-09-26 08:48:58 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 ) (21/2511) shenhaige 2010-03-14 2012-09-26 08:38:50 by wang_dan1990
[Gaussian] 关于SMD计算溶剂化能 (9/1247) 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 (3/485) 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？ (0/2475) yangwenpeng 2012-09-25 2012-09-25 21:07:12 by yangwenpeng
[Gaussian] 高斯精确能量计算问题 (4/556) 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 (3/1488) 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 (9/781) yangwenpeng 2012-09-23 2012-09-25 20:06:09 by yangwenpeng
[文章故事] JPOC 好中不？ (1/1454) 左转单车 2012-09-24 2012-09-25 20:05:19 by 飞行鸟
[HyperCh ] [已完结]NW Chem 请教 高手 如何在计算 极化率时加入 electric field ！谢谢 (0/478) sunhaitao 2012-09-25 2012-09-25 19:29:01 by sunhaitao
[Gamess/ ] [已完结]急求帮助    ( 1 2 ) (10/835) rhsjxs 2012-08-26 2012-09-25 18:10:46 by wzh上善若水
[Gaussian] 【求助】拉曼强度的问题 (3/779) henuhaog 2010-06-15 2012-09-25 17:09:52 by yangwenpeng
[量化新手 ] Mn空间群及坐标求助 (1/547) luobenhua 2010-08-12 2012-09-25 15:39:47 by jiaonahappy
[其他] [已完结]含氧自由基与氢自由基结合能 (1/995) shijie_qu 2012-09-23 2012-09-25 14:10:31 by yanrding
[Gaussian] [已完结]使用g09中的CASSCF计算激发态？ (6/2515) 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 ) (14/1507) 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 (8/1063) wynli 2012-09-24 2012-09-25 10:13:55 by wynli
[其他] [已完结]求问物质在溶剂中的扩散速率常数怎么计算？ (1/861) elainelau 2012-09-24 2012-09-25 09:35:56 by gengcy
[Gaussian] [已完结]高斯计算的熵是偏高还是偏低？ (8/1640) 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 (1/317) 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 ) (15/1896) 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 (3/760) 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 (7/1622) 落枫4161296 2012-09-20 2012-09-24 15:39:45 by vigaryang
[其他] [已完结]磺酰氯与N-叔丁基羰基乙二胺反应条件？ (3/407) tanwanbaobao 2012-09-22 2012-09-24 13:55:54 by zongyiyang
[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 ) (38/8832) qyyos 2012-05-03 2012-09-24 05:48:00 by qyyos
[Gaussian] [已完结][关贴]Gaussian 计算错误 (4/1590) lucky560 2012-09-23 2012-09-24 00:16:28 by chembetsey
[Gaussian] 求助G03 C.02版本软件 (3/424) 111222000 2012-09-22 2012-09-23 22:41:36 by jinyanzi20
[Gaussian] [已完结]IRC曲线 (1/873) ivylxjlove 2012-09-23 2012-09-23 21:03:46 by G03W
[量化新手 ] [已完结]求助 (0/203) 佳佳8905 2012-09-15 2012-09-23 20:41:11 by 佳佳8905
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