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[热点] 酰胺脱乙酰基 chibby 2026-02-09 刚刚
[Gaussian] [已完结]gaussian计算不收敛问题 (1/616) zhufayan 2011-09-14 2011-09-18 14:48:46 by 六块石头
[Gaussian] [已完结]如何在Gview5.0中看频率 (4/1026) cug_zhang 2011-09-17 2011-09-18 13:41:20 by liuzhengjun0427
[Gaussian] [已完结]L1002 (2/1014) danyinggian 2011-08-30 2011-09-17 22:24:54 by danyinggian
[Gaussian] [已完结]linux下的gassian安装问题 (3/805) 幽田双净 2011-09-17 2011-09-17 18:30:34 by snoopyzhao
[Gaussian] [已完结]求gaussian03在linux中安装及运行的详细步骤 (0/261) yuanwei0007 2011-09-17 2011-09-17 16:56:59 by yuanwei0007
[Gaussian] [已完结]求金属Au的Lanl2tzp的基组表示 (1/447) 紫色雅典娜 2011-09-16 2011-09-17 08:55:27 by pw91
[Gaussian] [已完结]单机安装linux版gaussian03或09的一些问题！ (1/486) yuanwei0007 2011-09-16 2011-09-16 22:34:40 by yongma2008
[Gaussian] [已完结]请问gaussian死在508该怎么解决？ (1/283) 1006094470 2011-09-16 2011-09-16 20:37:20 by 小红豆
[Gaussian] [已完结]gaussian优化如何保持几何结构的对称性 (0/808) dingniu2 2011-09-16 2011-09-16 20:31:06 by dingniu2
[Gaussian] [已完结]polyrate计算 (3/485) tuzi198711 2011-09-09 2011-09-16 17:03:53 by samsaratyz
[Gaussian] [已完结]关于二茂铁环蕃化合物的gaussian 优化 (1/356) ynlixm 2011-07-02 2011-09-16 15:05:24 by mjjwhs
[Gaussian] [已完结]请各位大侠看下高斯出错 (3/1017) sunzhiguo 2011-09-15 2011-09-16 09:37:13 by 小白如水
[Gaussian] [已完结]求Gaussian及Gaussiview09的 linux版 谢谢 (0/295) 套大侠070212 2011-09-16 2011-09-16 08:50:07 by 套大侠070212
[Gaussian] [已完结][关贴]为什么GaussieView读不出fchk文件的NBO信息？ (评阅-5) (3/960) luolun2008 2011-09-05 2011-09-15 15:37:18 by luolun2008
[Gaussian] [已完结]Gauss09计算nbo，三个电荷数哪一个是准确的？ (1/925) feiyumeng 2011-09-15 2011-09-15 14:48:33 by feiyumeng
[Gaussian] [已完结]高斯linux命令输入出现问题，请大侠帮忙！ (1/479) emmaxue 2011-09-14 2011-09-15 13:48:55 by abbott
[Gaussian] [已完结]gaussian电子云分布 (评阅-2) (2/1622) rulongxu 2011-09-15 2011-09-15 11:10:09 by rulongxu
[Gaussian] [已完结]GView09和GView05在IR中的不同？ (6/750) zln1987 2011-09-07 2011-09-15 10:22:36 by zln1987
[Gaussian] [已完结]请问各位大侠用完全基组法时，怎么减小rwf文件大小？ (1/643) yangxinyeah 2011-08-30 2011-09-15 09:38:32 by 凌夏V艾
[Gaussian] [已完结]【求助】有关使用Gaussian03计算BPO产生自由基过程的能量问题 (0/734) hlq3175 2011-09-14 2011-09-14 23:57:32 by hlq3175
[Gaussian] 【求助】Gaussion中指定自己的基函数出错Error termination in NtrErr (0/386) zhangguangping 2011-09-14 2011-09-14 20:12:30 by zhangguangping
[Gaussian] [已完结]优化出错No special actions if energy rises (2/1923) sunzhiguo 2011-09-13 2011-09-14 20:07:36 by hollelry
[Gaussian] 招聘化学反应动力学博士生一名    ( 1 2 ) (10/1396) dewpoint 2011-09-06 2011-09-14 16:27:15 by 风吹过的夏天
[Gaussian] [已完结]求大侠帮助！ (3/426) Captain-Jack 2011-09-13 2011-09-14 16:24:16 by yangfan0818
[Gaussian] [已完结]gaussview如何加水分子??? (1/928) astringent 2011-09-14 2011-09-14 15:03:19 by ludeng8710
[Gaussian] [已完结]输出文>> Convergence criterion not met.是怎么回事 (2/1333) sunzhiguo 2011-09-14 2011-09-14 14:14:02 by sunzhiguo
[Gaussian] [已完结]请问 怎么计算ZPVE和BSSE？ (2/1368) ludeng 2011-09-13 2011-09-14 14:06:27 by 雨晨田木
[Gaussian] [已完结][关贴]高斯计算报错疑问 (0/1076) hefengxiyu5899 2011-09-14 2011-09-14 11:47:19 by hefengxiyu5899
[Gaussian] 达人帮忙看看这个系统配置    ( 1 2 ) (10/1251) xiaojun2010 2011-09-10 2011-09-14 09:23:09 by 风间的记忆
[Gaussian] [已完结]什么溶剂模型适合计算阴、阳离子的溶剂化能 (4/915) kaegi 2011-09-07 2011-09-14 08:25:46 by kaegi
[Gaussian] [关贴]TDDFT 去激发 (0/621) tiechong 2011-09-14 2011-09-14 02:25:25 by tiechong
[Gaussian] [已完结]高斯03出错了，Severe Error Message # 2049！ (0/860) xulicumt 2011-09-13 2011-09-13 23:03:00 by xulicumt
[Gaussian] [已完结]Gauss03和Gauss09计算nbo得出的电荷数差别很大，哪一个是对的？ (0/293) feiyumeng 2011-09-13 2011-09-13 21:47:50 by feiyumeng
[Gaussian] [已完结]服务器上计算 Gaussian 怎么查看算了多少？ (4/1555) 1a1a11a 2011-09-12 2011-09-13 16:49:35 by 1a1a11a
[Gaussian] [已完结]請教一下現今有計算道激發態的問題 (0/203) superAchung 2011-09-13 2011-09-13 16:16:13 by superAchung
[Gaussian] [已完结][关贴]高斯求助 (1/326) gougaozhan 2011-09-11 2011-09-13 12:15:03 by gougaozhan
[Gaussian] [已完结]怎么知道哪个原子在振荡 (0/174) beipiao616 2011-09-13 2011-09-13 08:45:35 by beipiao616
[Gaussian] [已完结]服务器计算怎么并行？ (0/755) 1a1a11a 2011-09-12 2011-09-12 19:48:20 by 1a1a11a
[Gaussian] [已完结]π-π堆积作用的计算方法的选择！急急急！！    ( 1 2 ) (18/3174) zmcommon 2011-06-17 2011-09-12 17:11:53 by 独唱团
[Gaussian] [已完结]求：直角坐标转化为内坐标的Fortran程序 (2/329) dewpoint 2011-09-10 2011-09-12 05:03:44 by dewpoint
[Gaussian] [已完结][关贴]请教初始结构优化问题 (3/743) 游子8921 2011-09-09 2011-09-11 21:39:52 by 游子8921
[Gaussian] [关贴]gaussian09版本更新 (5/1745) 狼外婆 2011-06-02 2011-09-11 14:21:36 by boylc789
[Gaussian] [已完结]波函数读取求教 (1/710) 172304 2011-09-08 2011-09-11 13:51:51 by boylc789
[Gaussian] [已完结][关贴]多重态问题 (1/564) 套大侠070212 2011-09-11 2011-09-11 10:42:04 by beefly
[Gaussian] [已完结]G3B3//B3LYP/6-311G(D,P)计算出错 (5/1568) fs251040588 2011-09-10 2011-09-11 09:02:18 by 冲刺哦
[Gaussian] [已完结]四重态和六重态 (0/1383) 幽田双净 2011-09-11 2011-09-11 09:00:47 by 幽田双净
[Gaussian] [专家] 考古发现：Gaussian 76的使用手册（电子版） (3/563) beefly 2011-09-09 2011-09-11 00:13:07 by beefly
[Gaussian] [已完结]【求助】弱弱的问一下，并行机能否装盗版的gaussian软件啊 (3/818) xwy1027 2011-09-08 2011-09-10 16:52:49 by 独唱团
[Gaussian] [已完结]求助一文献中静电能的计算的问题 (4/1310) nigelallan 2011-09-08 2011-09-10 10:29:21 by nigelallan
[Gaussian] [已完结]含有金属原子体系的计算 (1/325) liuyusuc 2011-09-09 2011-09-10 07:58:29 by kgyl
[Gaussian] 高手解释下 spin density, electronic density (5/1534) 75843847 2011-09-01 2011-09-09 21:31:10 by 75843847
[Gaussian] [已完结]反应机理 (3/499) lm214019 2011-09-07 2011-09-09 20:07:07 by 小蜗牛8728
[Gaussian] [已完结]link文件书写模板 (0/271) lion0528 2011-09-09 2011-09-09 15:38:12 by lion0528
[Gaussian] 【求助】用G3怎样计算过渡态的能量？ (9/1400) yanniguang 2010-09-01 2011-09-09 13:23:27 by sobereva
[Gaussian] [已完结]求适用于G09的计算Ce和Pr的基组以及f-polarization 的参数值 (1/389) mengscujs 2011-09-09 2011-09-09 11:04:29 by abdoman
[Gaussian] [已完结][关贴]求gaussian09输入文件改错 (7/1110) 医无止境 2011-09-06 2011-09-09 10:17:01 by 医无止境
[Gaussian] [已完结]请高斯专家帮忙，谢谢！！ (6/1929) wangchenju 2011-09-06 2011-09-08 20:55:06 by wangchenju
[Gaussian] [已完结]优化的结构怎么算它的光学性质，IRC关键字怎么写？ (1/426) kekemi_1127 2011-08-10 2011-09-08 08:12:28 by wangzgjlu
[Gaussian] [已完结]gaussian 是否可以画差分电荷密度    ( 1 2 ) (17/3680) chuchu6816 2011-08-30 2011-09-08 07:42:42 by zhou2009
[Gaussian] [已完结]CeO2吸附氧气的计算 (2/921) nanofancy 2011-09-06 2011-09-07 20:40:54 by amition
[Gaussian] [已完结]求gaussian计算中理论方法的限制性和非限制性选择原则和差别 (3/1549) herarysara 2011-09-06 2011-09-07 17:54:27 by herarysara
[Gaussian] polarizability derivatives 和 raman scatter的关系 (0/310) chunchi77726 2011-09-07 2011-09-07 16:01:34 by chunchi77726
[Gaussian] IRC分析 (3/589) yangfan0818 2011-09-06 2011-09-07 15:00:56 by yangfan0818
[Gaussian] [已完结]哪位能提供一个 Al2O3 簇的gaussian输入文件，gjf格式。谢谢。 (6/1130) chemhehe 2011-09-05 2011-09-07 13:40:50 by zkyooo
[Gaussian] [已完结]求助gaussian view 中能级的确定 (0/335) pyy39518768 2011-09-07 2011-09-07 13:30:35 by pyy39518768
[Gaussian] [已完结]高斯计算中zORA方法是否可以使用 (9/2507) liuyusuc 2011-09-04 2011-09-07 11:58:55 by liuyusuc
[Gaussian] [已完结]芳香性问题 (9/854) zhaoyxcas 2011-09-04 2011-09-07 11:20:23 by zhaoyxcas
[Gaussian] [已完结]请问大侠，如何用高斯计算溶剂模型的共振拉曼？ (0/291) Captain-Jack 2011-09-07 2011-09-07 10:43:08 by Captain-Jack
[Gaussian] [已完结]gaussian计算报错 (1/508) 幽田双净 2011-09-07 2011-09-07 10:38:31 by zln1987
[Gaussian] [已完结][关贴]Excessive mixing of frozen core and valence orbitals. (4/3094) liuzhengjun0427 2011-09-06 2011-09-06 18:45:28 by yflchx
[Gaussian] [已完结]求一篇文献~~灰常感谢！ (1/209) yangxinyeah 2011-09-06 2011-09-06 16:14:09 by 贵在坚持
[Gaussian] [已完结]高斯IRC方向问题，急！！！ (4/1985) 兰亭の序 2011-08-30 2011-09-06 10:28:42 by l蓝刺猬
[Gaussian] [已完结]Gaussian自由能 (2/405) wenhai666666 2011-09-06 2011-09-06 09:42:57 by wenhai666666
[Gaussian] [已完结]怎么画模拟光电子谱？需要高斯的那些输出数据 (2/362) kekemi_1127 2011-09-05 2011-09-06 09:09:27 by kekemi_1127
[Gaussian] [已完结]请问关于用GView查看ESP的问题 (0/580) rainandstar 2011-09-05 2011-09-05 16:49:43 by rainandstar
[Gaussian] [已完结]GaussView的一点小问题~求帮助~ (3/600) 中山李 2011-09-03 2011-09-05 09:13:57 by 中山李
[Gaussian] [已完结]求助——谁能给个Gaussview 和SymApps软件？？？ (1/383) joe2000 2011-09-03 2011-09-04 20:26:51 by joe2000
[Gaussian] [已完结]跃迁百分数 TDDFT (1/410) sunhaitao 2011-09-04 2011-09-04 12:34:05 by 锋线杀手
[Gaussian] [已完结]芳香性 (5/564) zhaoyxcas 2011-08-25 2011-09-04 11:37:46 by zhaoyxcas
[Gaussian] [已完结]量化中出错的log文件 (5/1878) 我家小屁孩 2011-08-24 2011-09-04 10:34:01 by fwenling0506
[Gaussian] 溶剂化计算中的动态介电常数--EPSINF (2/825) XYLF 2011-09-03 2011-09-03 23:45:27 by XYLF
[Gaussian] [已完结]请问BSSE矫正得到的能量的精度以及其他 (0/323) rainandstar 2011-09-03 2011-09-03 22:48:09 by rainandstar
[Gaussian] [已完结]高斯03    ( 1 2 ) (14/959) nan1026feng 2011-08-13 2011-09-03 18:18:48 by 游子8921
[Gaussian] [已完结]求解the single electron density？ (3/453) zenghua63 2011-08-31 2011-09-03 16:49:07 by zenghua63
[Gaussian] [已完结]过渡态计算 (9/1905) rock0927 2011-06-14 2011-09-02 23:38:01 by 游子8921
[Gaussian] [已完结][关贴]频率校正 (0/533) xchem6628 2011-09-02 2011-09-02 14:29:09 by xchem6628
[Gaussian] [已完结]TDDFT计算断电终止，怎么接着计算？ (4/559) kuku6666 2011-08-29 2011-09-02 11:59:14 by kuku6666
[Gaussian] [已完结]求助吸附能和BSSE的计算 (0/428) cj4566 2011-09-02 2011-09-02 06:53:15 by cj4566
[Gaussian] [已完结]GuassSum和Guassview画出的UV图形不一样 (0/281) 雨晨田木 2011-09-01 2011-09-01 13:10:22 by 雨晨田木
[Gaussian] [已完结]Gaussian 高手出来吧 (8/1298) fegnzaixie 2011-08-16 2011-09-01 11:20:55 by chuchu6816
[Gaussian] [已完结]Gview求助 (4/483) 锋线杀手 2011-08-31 2011-09-01 10:05:31 by liuzhengjun0427
[Gaussian] [已完结]jpca评审意见求助 (6/926) sunhaitao 2011-08-30 2011-08-31 23:45:31 by beefly
[Gaussian] 【求助】关于高斯的基组，审稿意见让用triple-zeta基组【完结】    ( 1 2 3 ) (22/3498) zhangguangping 2011-03-01 2011-08-31 22:00:10 by yongleli
[Gaussian] 【求助】双氧水加成 (4/1048) 314202528 2010-09-06 2011-08-31 18:47:36 by happy111839
[Gaussian] [已完结]结构优化 l502错误 (4/3023) aliya0719 2011-08-29 2011-08-31 14:46:38 by aliya0719
[Gaussian] [已完结]用高斯计算溶剂效应，错误信息不一样！ (1/896) wwliang0302 2011-08-22 2011-08-30 21:01:36 by wwliang0302
[Gaussian] [已完结]高斯DFT方法能否获得分子的electron correlation能 (1/220) lihuiran818 2011-08-30 2011-08-30 20:37:53 by linzhongaiguo
[Gaussian] [已完结]急！！！初学者请教 (6/986) hhx456 2011-08-12 2011-08-30 20:06:14 by emmaxue
[Gaussian] [已完结]如何救活不小心关掉的计算 (1/534) beipiao616 2011-08-27 2011-08-30 19:14:38 by yongma2008
[Gaussian] [已完结]溶剂效应优化计算出错 (6/2451) huangraul 2011-07-21 2011-08-30 16:59:05 by voleyes
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