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[热点] 2024 - Donor Acceptor Cyclopropanes in Organic Synthesis asymmsyn 2026-02-07 刚刚
[Gaussian] [已完结]Gaussian多基组问题 (4/1134) daniell251 2012-04-23 2012-05-26 10:15:54 by liujiangping
[Gaussian] [已完结]优化好的构型重新优化或者算单点能，能量都比之前高 (8/2030) ganyz520 2012-05-24 2012-05-26 00:36:11 by chembetsey
[Gaussian] [已完结]Gaussian环状分子怎么画，谁可以帮我计算下    ( 1 2 ) (12/1709) 549536348 2012-05-17 2012-05-25 23:30:27 by zpppanda111
[Gaussian] 高斯查看轨道的问题？？    ( 1 2 ) (14/966) 111222000 2012-05-24 2012-05-25 19:51:20 by 111222000
[Gaussian] [已完结]高斯能不能计算分子极化率，分子摩尔折射率，分子体积，水合能这些数据，怎样计算    ( 1 2 ) (10/2898) jackson520 2012-05-17 2012-05-25 15:31:54 by oyljw
[Gaussian] [已完结][关贴]gaussian 如何计算团簇态密度DOS (求详尽解答) (2/2511) navyzhang 2012-05-22 2012-05-25 12:47:52 by navyzhang
[Gaussian] [已完结]过渡态QST2总是失败，请帮我看看    ( 1 2 ) (11/2370) 些小 2012-05-21 2012-05-25 10:44:25 by 些小
[Gaussian] [已完结]势能面扫面结果出问题 不明原因 求助 (0/631) quavavav 2012-05-24 2012-05-25 08:47:52 by quavavav
[Gaussian] [已完结]gaussian 09 输入m06-2x出现语法错误 (4/2594) qingjing9 2011-09-10 2012-05-25 08:01:15 by OY_OY
[Gaussian] [已完结][关贴]溶剂化效应和激发态的计算 (0/970) kathy2008 2012-05-24 2012-05-24 20:48:25 by kathy2008
[Gaussian] [已完结]计算溶剂化效应报错。 (1/415) kathy2008 2012-05-24 2012-05-24 20:42:22 by dumbgirl
[Gaussian] [已完结]smd模型能和oniompcm=x联合使用吗？？？？ (0/704) astringent 2012-05-23 2012-05-24 16:01:16 by astringent
[Gaussian] [已完结]电子组态相同的单、三重激发态之间是否容易发生系间窜越？ (1/676) 雨晨田木 2012-05-24 2012-05-24 15:49:43 by gmy1990
[Gaussian] [已完结]如何建立tio2团簇模型 (1/770) tandz 2012-05-24 2012-05-24 15:40:49 by gmy1990
[Gaussian] [已完结]紧急求助：Gaussian输入问题，两个原子同时使用不同的赝势基组 (5/2006) wcz2008 2012-05-23 2012-05-24 10:09:18 by wcz2008
[Gaussian] 【求助】为什么用IRC分析到不了产物？    ( 1 2 ) (11/2065) yuyu2830 2010-01-30 2012-05-24 08:17:13 by dxjdmy
[Gaussian] 【讨论】什么情况下的虚频进行IRC分析时会发生向前向后都走到同一产物上去的情况 (8/1714) littledwarf 2011-01-17 2012-05-24 08:13:48 by dxjdmy
[Gaussian] [已完结]过渡态优化，iop(1/8=1),能量曲线依然震荡，我还要hold住吗？    ( 1 2 ) (17/3298) beyondjun 2011-11-05 2012-05-24 08:06:10 by dxjdmy
[Gaussian] [已完结]关于用TS方法计算过渡态能垒的问题 (4/1612) 2010000174 2012-05-23 2012-05-23 16:20:30 by 2010000174
[Gaussian] IRC出现一个拐点是怎么会事？ (4/546) bond1 2012-05-21 2012-05-23 14:42:53 by bond1
[Gaussian] [已完结]请问在Gaussian中如何固定结构然后再算单点能 (6/2135) jia11 2012-05-18 2012-05-23 12:10:58 by gujing136
[Gaussian] [已完结]如何预测一个反应能否进行 (3/732) vigaryang 2012-05-22 2012-05-23 09:42:25 by gujing136
[Gaussian] 【求助】分子硬度或软度，亲电指数如何加关键词 (5/2814) 15200505003 2010-07-19 2012-05-22 19:11:39 by zpppanda111
[Gaussian] 【分享】GaussSum2.2.3及其相关组件安装 (30/3766) 吴大为 2010-06-14 2012-05-22 12:29:12 by navyzhang
[Gaussian] [已完结]怎么从高斯判断电子占据哪个原子轨道 (评阅+30) (0/1148) chenxiankai 2012-05-22 2012-05-22 10:48:04 by chenxiankai
[Gaussian] oniom_pcm enerqy读取 (0/406) astringent 2012-05-21 2012-05-22 10:12:33 by astringent
[Gaussian] 高斯计算初始模型问题 (1/404) yhaih52 2012-05-21 2012-05-22 10:00:01 by gujing136
[Gaussian] [已完结]l301 错误 请大家帮忙 (2/465) shiwj 2012-05-21 2012-05-22 08:40:42 by shiwj
[Gaussian] 怎样从有机合成实验方向转到计算化学（用高斯），求助。 (6/1690) lixxxd 2011-08-19 2012-05-22 08:35:45 by xiaofu119
[Gaussian] Basis Set Exchange: v1.2.2 (1/1347) cavediger 2012-05-20 2012-05-22 02:56:55 by yalefield
[Gaussian] [已完结]怎么画出如下图 (4/1391) xpz0216 2012-05-20 2012-05-21 16:46:20 by nyzhaoyin
[Gaussian] ccsd(t)输出    ( 1 2 ) (16/1105) kent1022 2012-05-18 2012-05-21 16:40:59 by zhou2009
[Gaussian] [已完结]关于溶剂化效应-specific solvent effect的审稿意见 (2/755) swfc-lth2012 2012-05-12 2012-05-21 14:17:02 by swfc-lth2012
[Gaussian] [已完结]Link1批处理计算PCM进行不下去 (2/339) ZCY2009 2012-05-21 2012-05-21 13:12:35 by ZCY2009
[Gaussian] [已完结]优化有问题 (2/285) tangshi141 2012-05-20 2012-05-20 21:44:10 by tangshi141
[Gaussian] [已完结]高斯计算偶极矩的问题 (2/2083) jayen3916 2012-05-20 2012-05-20 21:38:33 by beefly
[Gaussian] 【求助】急切寻求gaussian03 for linux.    ( 1 2 ) (18/2765) tangbaowei 2010-04-28 2012-05-20 15:37:24 by jove1782
[Gaussian] 电子亲合能与结合能 (1/1471) kent1022 2012-05-19 2012-05-20 13:37:26 by lixf
[Gaussian] [已完结]高斯怎么算自由基的ESP (1/1691) chuchu6816 2012-05-17 2012-05-20 09:45:04 by yumu0411
[Gaussian] [已完结]Gauss中如何估算溶剂的分子半径 (1/867) kaluoyi2008 2012-05-16 2012-05-20 09:05:29 by 139564@chen
[Gaussian] 高斯批处理 (8/3787) gujing136 2012-04-29 2012-05-19 20:42:10 by ValYu
[Gaussian] [已完结]基组的大小对计算能量的影响 (4/1153) ldzh0531 2012-05-18 2012-05-19 20:31:07 by ldzh0531
[Gaussian] [已完结]求文献3篇 (0/146) gjr123 2012-05-19 2012-05-19 20:21:16 by gjr123
[Gaussian] 高斯优化问题？    ( 1 2 ) (12/1098) 111222000 2012-05-16 2012-05-19 12:19:24 by 111222000
[Gaussian] [已完结]急求帮助，请各位帮忙！谢谢计算NBO电荷分析出现如下问题 (6/2363) xuzhongy 2012-05-13 2012-05-18 15:43:42 by xuzhongy
[Gaussian] 高对称性分子的轨道不可约表示 (7/1637) gongyiweimu 2012-05-17 2012-05-18 11:23:52 by mmmy007
[Gaussian] [已完结]请教高人如何帮我修改错误~~~ (9/1318) 2010000174 2012-05-14 2012-05-18 11:00:06 by 2010000174
[Gaussian] [已完结]过渡态 (7/1442) lm214019 2012-05-16 2012-05-18 10:10:38 by fishdewow
[Gaussian] 波函稳定性计算的问题 (1/363) kent1022 2012-05-17 2012-05-17 20:48:39 by yjcmwgk
[Gaussian] [已完结]高斯ECP怎么输入？ (1/474) txf8378 2012-05-17 2012-05-17 15:29:36 by springxa
[Gaussian] [已完结]求助有没有人用过高斯计算过钌多吡啶配合物的发射光谱的呢~~ (2/333) 潴潴雯雯 2012-05-16 2012-05-17 15:19:31 by 潴潴雯雯
[Gaussian] [已完结]过渡金属磁性分析the spin magnetic moment (2/865) lujun2910 2012-05-16 2012-05-17 08:27:47 by lujun2910
[Gaussian] [已完结]Guassiian优化过渡态只有一个负78的虚频 (1/715) flypeng 2012-05-16 2012-05-16 20:54:34 by 书万里
[Gaussian] [已完结]高斯G3方法计算能量 (4/2124) lzzjd 2012-02-02 2012-05-16 19:20:27 by lzzjd
[Gaussian] [已完结]拜求高人，解释这个出错是什么原因啊，非常感谢    ( 1 2 ) (10/1148) 雾溪之魅 2012-05-14 2012-05-16 14:45:23 by 雾溪之魅
[Gaussian] [已完结]对称性的怪异问题 (5/1040) forestwolf9291 2012-05-15 2012-05-16 10:50:13 by yjcmwgk
[Gaussian] [已完结]Gaussian总是出错，有图有真相 (5/710) ValYu 2012-05-14 2012-05-16 00:21:05 by ValYu
[Gaussian] [已完结]关于基组的描述 (3/739) gmy1990 2012-05-15 2012-05-15 21:04:37 by gmy1990
[Gaussian] [已完结]怎样构建合理的酶催化体系 (1/307) helitrope 2012-05-12 2012-05-15 20:29:01 by liu108
[Gaussian] 【求助】请问absorption和excitation spectrum的区别 (4/1734) zzl7337 2010-11-04 2012-05-15 13:39:56 by 113865787
[Gaussian] 》》》》》》IR和Ramam波谱相关纵坐标《《《《《《 (0/528) 为学术科研提供� 2012-05-15 2012-05-15 13:12:08 by liailong
[Gaussian] [已完结]怎样利用gausview设置做一个rigid scan (0/634) THR1982 2012-05-15 2012-05-15 09:56:34 by THR1982
[Gaussian] [已完结]高斯计算吸脱附是否准确问题 (0/284) liujodan 2012-05-14 2012-05-14 17:30:42 by liujodan
[Gaussian] [已完结]用离子液体BmimCl做溶剂，在gaussian中如何输入 (0/747) kaluoyi2008 2012-05-14 2012-05-14 16:44:49 by kaluoyi2008
[Gaussian] [已完结]Gaussian运算求助 (5/601) baixian13 2012-05-14 2012-05-14 11:50:24 by baixian13
[Gaussian] [已完结]混合基组的使用 (9/2438) heqian9012 2012-05-12 2012-05-14 10:08:04 by gujing136
[Gaussian] [已完结]有关荧光激发态计算和发射光谱的难题 (6/1235) 飞鱼飞鱼 2012-05-10 2012-05-14 09:51:21 by 飞鱼飞鱼
[Gaussian] [已完结]怎样外推到CBS极限 (5/933) kent1022 2012-05-10 2012-05-14 01:06:12 by mchen10
[Gaussian] [已完结][关贴]四个小分子的lumo和homo轨道能量的计算 (0/658) lucian118 2012-05-13 2012-05-13 23:43:34 by lucian118
[Gaussian] 【讨论】振动分析和ReadIso得到的H和G为何不同？ (1/449) gongxd325 2010-06-08 2012-05-13 23:12:50 by 雪狼乖乖
[Gaussian] [已完结][关贴]高斯优化后怎么做力场文件呢？ (0/654) 604758762 2012-05-13 2012-05-13 21:52:35 by 604758762
[Gaussian] [已完结]》》RHF优化水分子比UHF优化水分子构型Cpu-time长？《《    ( 1 2 ) (14/2053) 为学术科研提供� 2012-05-12 2012-05-13 17:53:18 by gujing136
[Gaussian] [已完结]溶剂化自由能计算 (1/1090) liu_qz 2012-05-12 2012-05-13 16:47:36 by liu_qz
[Gaussian] [已完结]TS计算出错 (8/2022) leizhao47 2012-05-08 2012-05-13 10:38:31 by leizhao47
[Gaussian] [已完结]怎样判定分子间发生能量传递，还是电子传递？有没有能级上级差上的要求？ (4/1948) hth1289 2012-05-11 2012-05-13 00:57:07 by Jasminer
[Gaussian] [已完结]》》》》》》》》》谁能告诉我水分子是怎么成键的吗《《《《《《《《 (7/1888) 为学术科研提供� 2012-05-01 2012-05-12 17:04:45 by liailong
[Gaussian] [已完结]qst2寻找过渡态有时会出现101错误 (7/1570) ldzh0531 2012-04-22 2012-05-12 11:41:12 by ldzh0531
[Gaussian] 【求助】G09 没有优化，直接算频率时出错 (9/1892) yanxiaomi688 2011-01-13 2012-05-12 05:40:05 by greta2009
[Gaussian] [已完结]吸收光谱 (3/465) zml2009 2012-05-11 2012-05-12 00:13:35 by pwzhou
[Gaussian] [已完结]QST2法如何寻找过渡态 (3/1142) hustzju 2012-05-10 2012-05-11 23:34:39 by spectmass
[Gaussian] ccdc问题？？？ (0/267) 111222000 2012-05-08 2012-05-11 21:17:48 by 111222000
[Gaussian] [已完结]gaussian计算ESR (0/781) 雪狼乖乖 2012-05-04 2012-05-11 21:12:00 by 雪狼乖乖
[Gaussian] [已完结]原子间mulliken电荷集居分析 (0/857) 思考会儿 2012-05-11 2012-05-11 15:49:00 by 思考会儿
[Gaussian] G09 TDDFT优化第一激发三重态的几何 多重度如何写 (11/2136) kentzhang 2011-07-13 2012-05-11 14:41:09 by 113865787
[Gaussian] 【求助】弱弱的问下：Gaussian03怎样计算平衡常数 (4/998) 六月的雪3631 2011-01-08 2012-05-11 12:51:49 by 六月的雪3631
[Gaussian] [已完结]过渡态的能量sp值比反应物的能量值低    ( 1 2 ) (16/1727) 2010000174 2012-05-09 2012-05-11 12:18:11 by gujing136
[Gaussian] [已完结]高斯中双原子分子计算 如何调设置使离解能正常? (4/919) 双胜街 2012-05-10 2012-05-11 11:49:11 by hklulu
[Gaussian] NBO 电荷分析中电荷总和不为零 分析 处理 (6/1342) XYLF 2012-05-10 2012-05-11 10:59:26 by XYLF
[Gaussian] [已完结]高斯非正常结束    ( 1 2 ) (11/1580) luyating2005 2012-05-04 2012-05-11 10:44:00 by 小猪学习
[Gaussian] [已完结]高斯，如何导入结构式 (3/1721) aggie.chen 2012-05-07 2012-05-11 08:52:03 by yjcmwgk
[Gaussian] [已完结]请问，能不能用Gaussian 模拟PXRD (2/316) fu103 2012-05-09 2012-05-11 08:49:16 by fu103
[Gaussian] [已完结]出现301错误，求指教 (8/1453) wynli 2012-05-09 2012-05-10 15:25:03 by wynli
[Gaussian] [已完结]HOMO图 (6/838) aggie.chen 2012-05-08 2012-05-10 13:19:07 by gujing136
[Gaussian] [已完结]如何用高斯分析分子势能在某个振动模式下的分布 (3/1123) mzfghl 2012-03-27 2012-05-10 10:57:53 by mzfghl
[Gaussian] [已完结]高斯几何优化输出时“找不到指定文件”怎么回事啊？ (3/970) 氧气泡泡_ 2012-05-07 2012-05-10 10:29:27 by 氧气泡泡_
[Gaussian] [已完结]gaussian 03安装出问题 (4/779) 阿三阿里宝宝 2012-05-07 2012-05-10 09:58:04 by 阿三阿里宝宝
[Gaussian] [已完结]溶剂计算 (0/811) wangljhl 2012-05-10 2012-05-10 08:56:09 by wangljhl
[Gaussian] [已完结]IRC的困惑 (2/390) aimonkey 2012-05-09 2012-05-10 08:39:31 by aimonkey
[Gaussian] [已完结]如何计算resp，esp，chelpg电荷 (2/3856) astringent 2012-02-02 2012-05-10 07:53:49 by fwenling0506
[Gaussian] [已完结]如何判断分子多重电离时被电离掉的电子属于那一个原子 (2/401) zhouman2012 2012-05-09 2012-05-10 02:06:41 by mchen10
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