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[热点] 2024 - Atropisomerism in Asymmetric Organic Synthesis asymmsyn 2026-02-09 刚刚
[Gaussian] [已完结]au . esu单位转换问题 (1/1011) cloudyfrog 2011-05-09 2011-05-17 20:24:46 by nanasj
[Gaussian] 如何判断自己用的高斯软件是32位的还是64位的？ (12/3039) lorna639 2011-05-14 2011-05-17 17:07:10 by abdoman
[Gaussian] [已完结]Gaussian计算完毕，out文件打开后发现有些化学键消失了 (2/3186) blackfish688 2011-05-17 2011-05-17 16:18:22 by hexinchem
[Gaussian] 一个关于BSSE校正的问题 (8/1373) liuzhengjun0427 2011-05-14 2011-05-17 14:31:31 by crystal_wang_82
[Gaussian] [已完结]Gaussian09 能做 把单独一个分子放在盒子中的PBC计算吗 (1/859) mjjwhs 2011-05-14 2011-05-17 14:26:54 by liyuanhe211
[Gaussian] [已完结]用Gussian09 .mp2/aug-ccpvqz算氢分子离子的频率出错 (8/2014) zq5536 2011-05-15 2011-05-17 10:50:05 by hairan
[Gaussian] [已完结]怎样加快ONIOM计算的速度 (6/1282) huying15 2011-05-15 2011-05-17 10:42:28 by huying15
[Gaussian] [已完结]虚频消除后还需要在进行优化计算么？ (5/1030) 小白如水 2011-05-15 2011-05-17 10:28:32 by 小白如水
[Gaussian] [已完结]Gaussveiw中如何显示Scan的三维图？（PES） (0/396) liyuanhe211 2011-05-17 2011-05-17 09:30:40 by liyuanhe211
[Gaussian] [已完结]求助一个关于电脑知识的问题    ( 1 2 ) (12/1015) zhulty 2011-05-14 2011-05-16 22:32:51 by mchen10
[Gaussian] [已完结]限制开壳层计算单电能出错    ( 1 2 ) (10/2628) gtolv8688 2011-05-14 2011-05-16 21:29:41 by gtolv8688
[Gaussian] 一个关于gaussian坐标的问题 (3/835) liuzhengjun0427 2011-05-16 2011-05-16 19:42:54 by liuzhengjun0427
[Gaussian] [已完结]开壳层体系自旋破损 (2/458) 求学者@凤子 2011-05-16 2011-05-16 19:11:28 by 求学者@凤子
[Gaussian] [已完结]out里的分子结构转入新的.gjf，应复制哪一部分作为新的分子结构说明？ (4/1071) liyuanhe211 2011-05-16 2011-05-16 15:52:39 by xj544
[Gaussian] [已完结]轨道有问号，消除不了 (6/1086) dreamyeye 2011-05-14 2011-05-16 08:42:02 by coolrainbow
[Gaussian] [已完结]计算中的振动分析干什么用 (2/1319) liull12050 2011-05-15 2011-05-15 13:40:21 by zhangmt
[Gaussian] [已完结]AIM分析求助 (5/1130) ww1987 2011-05-03 2011-05-15 00:15:07 by ww1987
[Gaussian] 【求助】过渡金属催化 三苯基磷配体 (7/1675) husnjls 2010-10-08 2011-05-14 15:26:48 by chzhyyxh
[Gaussian] [已完结]gauss view 4.0自定义分子片断 (0/1056) wutongshun 2011-05-13 2011-05-14 11:54:06 by wutongshun
[Gaussian] [已完结]高斯如何进行交换函的计算 (4/728) x7511413 2011-05-12 2011-05-14 08:51:06 by x7511413
[Gaussian] 审稿建议,帮忙看看!    ( 1 2 ) (14/1925) zhficcas 2011-05-10 2011-05-14 06:17:49 by zhficcas
[Gaussian] [已完结]那位大侠指导下如何利用Gaussian计算过渡态 (7/1857) wsyfenglang 2011-05-05 2011-05-13 22:32:53 by wsyfenglang
[Gaussian] 用高斯计算，想买一台小型服务器自家用，请大家帮忙参考 (5/1950) lorna639 2011-05-12 2011-05-13 22:31:52 by hairan
[Gaussian] [已完结]氢转移，si，ge基团转移 (0/224) wslnwzj 2011-05-13 2011-05-13 21:38:42 by wslnwzj
[Gaussian] [已完结]高斯view中一个5边形的12面体怎么画，大家指导一下。自学的高斯。 (1/905) yifengyejin 2011-05-13 2011-05-13 21:01:25 by gmy1990
[Gaussian] [已完结]求GaussView 5 Linux x64~~（没有的话4或者3也都可以） (1/573) liyuanhe211 2011-05-13 2011-05-13 19:28:35 by wntc
[Gaussian] [已完结]求GaussianView4.1.2安装文件及相应密码 (0/337) xiguatailan 2011-05-11 2011-05-13 16:30:47 by xiguatailan
[Gaussian] [已完结]能隙 (0/264) zml2009 2011-05-13 2011-05-13 16:24:32 by zml2009
[Gaussian] [已完结]高斯view中，两个8边形的面是平行 的，但是怎么调节成能够完全重合的那种平行？ (7/1281) yifengyejin 2011-05-09 2011-05-13 14:24:31 by yongma2008
[Gaussian] [已完结]关于TD计算结果的描述 (2/569) yjcmwgk 2011-05-12 2011-05-13 14:13:18 by richen0564
[Gaussian] [已完结]请问优化两层相同的分子用什么方法？（两层分子有pi-pi作用） (5/650) proton00 2011-05-12 2011-05-13 07:24:46 by zhou2009
[Gaussian] [已完结]优化激发态结构出错 (1/631) alexander8108 2011-05-12 2011-05-12 20:51:42 by emmaxue
[Gaussian] [已完结]构型优化失败1502 (2/702) ytwen 2011-05-12 2011-05-12 20:48:48 by 亍寞
[Gaussian] [已完结]gaussian优化完成弹出如下错误 (1/472) zchch900 2011-05-12 2011-05-12 17:49:56 by zhficcas
[Gaussian] [已完结]请教有没有免费的同gaussian一样的软件 (6/2368) shuo2008 2011-05-09 2011-05-12 16:16:16 by 375642546
[Gaussian] [已完结]restart时小基组换大基组错误 (5/788) burwoad 2011-04-25 2011-05-12 15:03:40 by burwoad
[Gaussian] [专家] 【原创】做重元素post－HF计算的注意了，Gaussian的一个BUG！ (6/1388) beefly 2011-04-13 2011-05-12 12:19:03 by yongleli
[Gaussian] [已完结][求助]高斯运行计算频率老是出错 (2/876) xuliang4423 2011-05-11 2011-05-12 10:08:06 by xuliang4423
[Gaussian] 【求助】opt=QST2输入方法 (10/2381) gldou 2011-04-02 2011-05-12 09:02:31 by gldou
[Gaussian] [已完结]用gaussian计算丙烷的标准生成热，结果与实验值相差很大，盼高手指导。 (7/2225) llwwdxqgs 2011-05-07 2011-05-11 23:21:39 by mchen10
[Gaussian] [已完结]Gaussian03W在WINDOWS下运行是不是很不稳定？ (0/610) XYLF 2011-05-11 2011-05-11 21:53:38 by XYLF
[Gaussian] [已完结]优化时该图能否说明能量振荡吗？ (1/358) yanghua0378 2011-05-11 2011-05-11 15:49:38 by zhangmt
[Gaussian] [已完结]求助GaussView画出青霉素钠后的计算路径 (0/314) lzy0742618 2011-05-11 2011-05-11 11:18:07 by lzy0742618
[Gaussian] [已完结]gaussian批处理文件中CPU和内存的设置 (金币≥1)(6/207) ytwen 2011-05-06 2011-05-11 10:05:48 by boylc789
[Gaussian] [已完结]高斯软件 超级化率 (金币≥1)(1/100) cloudyfrog 2011-05-10 2011-05-11 10:05:21 by xieyujia
[Gaussian] [已完结]有关过渡态计算 (2/772) cwdong8309 2011-05-05 2011-05-11 09:25:57 by wenxianliu
[Gaussian] [已完结]几何构型优化 后三项收敛 然后报错 (金币≥1)(2/96) lqj111 2011-05-10 2011-05-11 09:16:50 by wenxianliu
[Gaussian] [已完结]悬赏：求教一个分子的构型 (5/794) hunanren7868 2011-05-11 2011-05-11 08:55:07 by hunanren7868
[Gaussian] 【求助】重金：过渡态，三个虚频！ (19/3001) lizhfe2003 2011-04-17 2011-05-10 21:05:57 by liyuanhe211
[Gaussian] [已完结]四参数速率表达式与三参数的区别？ (金币≥50)(0/17) renhe998 2011-05-10 2011-05-10 20:28:55 by renhe998
[Gaussian] [已完结]指定UAHF溶剂半径时，过渡态能垒偏低 (2/785) 学员qShzkM 2011-05-09 2011-05-10 16:42:03 by 我的未来bsm
[Gaussian] [已完结]环丁二烯二价正离子的优化虚频 (7/1538) 亍寞 2011-05-09 2011-05-10 16:34:05 by 亍寞
[Gaussian] [已完结]CIS输入命令 (0/778) zhaolei1696 2011-05-10 2011-05-10 09:59:58 by zhaolei1696
[Gaussian] 【求助】关于优化时出现断键的现象 (7/1323) fegnzaixie 2010-07-18 2011-05-10 09:01:25 by invincibly
[Gaussian] [已完结][关贴]如何计算 quasi fermi level (评阅+8) (2/582) tandz 2011-05-09 2011-05-10 08:26:12 by tandz
[Gaussian] 【火大】Gaussian的Cubegen命令中Laplacian选项是bug。原因找到了 (评阅+3) (3/1547) yjcmwgk 2011-04-15 2011-05-09 19:50:27 by boylc789
[Gaussian] [已完结][关贴]想把GVIEW里面过渡态的振动动画用PPT播放，请教如何做？ (5/1577) 奔鲨 2011-05-05 2011-05-09 14:58:28 by 奔鲨
[Gaussian] 用gaussian计算丙烷的标准生成热，结果与实验值相差很大，盼高手指导。 (1/505) llwwdxqgs 2011-05-07 2011-05-09 11:04:46 by chiweijie
[Gaussian] [已完结]18-Crown-6-6-31g-calcfc-reopt.gjf（b3lyp/6-31+g** 5d opt）求助 (7/1073) zhulty 2011-05-06 2011-05-09 10:49:47 by fichte
[Gaussian] [已完结]关于激发态的频率计算问题 (2/646) bingdieduwu 2011-05-09 2011-05-09 10:20:47 by bingdieduwu
[Gaussian] Gaussian计算的随机性    ( 1 2 ) (15/3953) lpsdu 2011-05-05 2011-05-08 18:04:04 by boylc789
[Gaussian] [已完结]理论计算文章翻译求助 (1/573) x7511413 2011-05-08 2011-05-08 10:38:05 by lihb734
[Gaussian] [已完结]自旋密度图 (0/611) zml2009 2011-05-08 2011-05-08 10:19:14 by zml2009
[Gaussian] [已完结]弱相互作用求助 (5/1216) 亍寞 2011-05-05 2011-05-08 07:46:15 by 亍寞
[Gaussian] 能隙的计算 (0/3135) lixf 2011-05-07 2011-05-07 18:00:42 by lixf
[Gaussian] [已完结]算离子势和亲核势 (2/813) 梦623 2011-05-05 2011-05-07 16:44:31 by lixf
[Gaussian] [已完结]金属-金属键：σ-键和π-键 (9/2264) zhaoyxcas 2011-05-06 2011-05-06 21:39:35 by zhaoyxcas
[Gaussian] [已完结]关于优化激发态小虚频的消除 (金币≥5)(9/146) bingdieduwu 2011-05-04 2011-05-06 19:57:10 by bingdieduwu
[Gaussian] 关于输入文件共价键的问题！ (2/445) nybz1986lizi 2011-05-06 2011-05-06 19:47:55 by nybz1986lizi
[Gaussian] [已完结]L601.exe (0/567) shuai6974 2011-05-06 2011-05-06 16:09:09 by shuai6974
[Gaussian] [已完结][关贴]如何判断 intramolecular charge transfer (ICT) (评阅+3) (5/1871) tandz 2011-05-06 2011-05-06 12:27:14 by xuefangyu09
[Gaussian] [已完结]高斯能计算氢键吗？ (0/1521) kongtingyue 2011-05-06 2011-05-06 10:38:57 by kongtingyue
[Gaussian] [已完结]VMOdes的解密码 (0/282) tandz 2011-05-06 2011-05-06 09:41:42 by tandz
[Gaussian] [已完结]G09激发态优化出错··· (1/647) wuhan13517 2011-05-05 2011-05-06 08:40:03 by daiyulan85
[Gaussian] [已完结]请教高手:计算金属体系时出错~~ (1/413) sparkhsl 2011-05-05 2011-05-05 22:43:42 by recoli
[Gaussian] [已完结]gaussian求助 大侠救命 (6/860) 好一颗大头菜 2011-04-25 2011-05-05 22:34:17 by XYLF
[Gaussian] [已完结]求助 高斯09运行polar关键词时出现L111终止错误，如何消除。 (0/391) zky322003 2011-05-05 2011-05-05 19:57:26 by zky322003
[Gaussian] 【求助】苦苦寻求Gaussian (5/667) epassion 2011-03-28 2011-05-05 15:54:16 by wsyfenglang
[Gaussian] [已完结]用DFT/6-31G*得到的过渡态为啥在DFT/6-311G*下就不对了呢？ (3/1120) zhengpc3505 2011-04-24 2011-05-05 15:36:33 by wsyfenglang
[Gaussian] [已完结]初学者请教各位大侠二茂铁的赝势优化问题（毕业论文，急） (2/550) lyjiang1009 2011-05-04 2011-05-05 15:17:04 by lyjiang1009
[Gaussian] 如何将高斯计算结果以极坐标的形式输出 (0/521) kong我就是我 2011-05-05 2011-05-05 15:08:53 by kong我就是我
[Gaussian] [已完结]显示程序在运行，却打不开 (5/2269) charityqi 2011-05-02 2011-05-05 13:24:00 by heyo_123
[Gaussian] 【求助】按论坛方法安装Gaussian09出错    ( 1 2 ) (10/2201) bjwang 2010-11-11 2011-05-05 10:44:56 by xiao72379
[Gaussian] [已完结]关于Gaussian的一个warning (2/1558) danyinggian 2011-05-04 2011-05-05 02:50:59 by mchen10
[Gaussian] [已完结]计算出错 这是为什么 (4/1149) ww1987 2011-05-04 2011-05-04 22:48:30 by ww1987
[Gaussian] [已完结]关于B3LYP/6-311 + G**的星号问题 (6/1967) breezels 2011-05-04 2011-05-04 21:37:18 by 求学之子
[Gaussian] [已完结]高斯view中怎么使用对称功能，比如c3,结构。具体步骤。谢谢了 (1/941) yifengyejin 2011-05-04 2011-05-04 16:33:00 by gmy1990
[Gaussian] [已完结]Gaussian view 结构 (3/516) geziqi111 2011-05-04 2011-05-04 16:32:50 by 陈艳cy
[Gaussian] [已完结]如何计算化合物的生成焓？！谢谢各位兄弟姐妹啦！！ (金币≥1)(1/67) WSRR8342 2011-05-04 2011-05-04 16:26:05 by tweety1023
[Gaussian] [已完结]请问有人做过ge转移质子的过渡态吗？？？ (2/302) wslnwzj 2011-05-02 2011-05-04 12:12:52 by wslnwzj
[Gaussian] [已完结]stuttgart+2f1g基组 (0/335) 刘志凌 2011-05-04 2011-05-04 12:11:52 by 刘志凌
[Gaussian] 【求助】请高手指点出错原因 (16/2969) 低调先生 2011-03-16 2011-05-04 10:41:36 by wenxianliu
[Gaussian] 【求助】高斯计算出错，寻高手指点 (2/632) zhaolei1696 2011-04-08 2011-05-04 10:26:57 by wenxianliu
[Gaussian] 【求助】请问这是什么错误？ (4/1100) convenient 2011-04-07 2011-05-04 10:21:44 by wenxianliu
[Gaussian] [已完结]怎么不改变对称性 (8/795) zzl7337 2011-04-24 2011-05-04 09:59:53 by wenxianliu
[Gaussian] [已完结][关贴]离子对 (0/385) 刘志凌 2011-05-04 2011-05-04 09:49:34 by 刘志凌
[Gaussian] [已完结]结构优化的问题 (2/811) hhaifeng 2011-05-03 2011-05-04 09:31:33 by jin912
[Gaussian] [已完结]知道三条边的长度，怎么画出来总是一条边长会微小的变化。难道非要算出夹角 (4/945) yifengyejin 2011-05-02 2011-05-03 15:59:14 by XYLF
[Gaussian] [已完结]基组 (3/632) 长乐未央 2011-05-03 2011-05-03 15:24:04 by 马舒野
[Gaussian] [已完结]求助energy 与二面角的关系曲线如何做 (4/941) nlwxp 2011-04-29 2011-05-03 00:59:26 by XYLF
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