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[热点] 349求调剂 zwjjjjjj 2026-04-02 刚刚
[Gaussian] [已完结]请教Gaussian中一个金属-阳离子体系的charge和spin设定的问题 (4/1828) alexwpch 2012-05-23 2013-04-02 14:39:46 by meteoric30
[Gaussian] [已完结]还原反应机理研究 (0/216) 兔子lizzy 2013-03-29 2013-04-02 14:31:46 by 兔子lizzy
[Gaussian] [已完结]gaussian中怎样根据离解通道分别计算势能曲线 (0/364) kent1022 2013-03-29 2013-04-02 14:31:20 by kent1022
[Gaussian] [已完结]单点能中断 (0/202) wangsihang 2013-04-01 2013-04-02 14:29:46 by wangsihang
[Gaussian] [已完结]怎么用高斯计算离子催化作用啊 (2/464) jarry@zyy 2013-04-01 2013-04-02 08:50:43 by jarry@zyy
[Gaussian] [已完结]BSSE校正中 片段2的变化如何改写 (8/2124) daniel009 2011-12-18 2013-04-02 08:00:33 by lingdiao
[Gaussian] [已完结]激发态错误 (1/397) yuzhihe 2013-04-01 2013-04-01 21:02:24 by stalart
[Gaussian] [已完结]gaussian基组问题 (9/1414) sjc947440689 2013-03-31 2013-04-01 20:15:36 by sjc947440689
[Gaussian] [已完结]高斯输入文件中b97-d (0/454) 0419xuhao 2013-04-01 2013-04-01 15:19:16 by 0419xuhao
[Gaussian] [已完结]【求助】高斯09中B97D和wB97XD有什么区别？ (1/1891) zky322003 2013-04-01 2013-04-01 13:48:32 by stalart
[Gaussian] [已完结]急求g98unix版本 (8/772) 望天定远 2011-05-24 2013-04-01 12:51:30 by jchenah
[Gaussian] 将chk文件转换成fchk文件 在加enonly 关键字的情况下还是怎么得不到超极化率 (9/989) 弹孔 2013-03-29 2013-04-01 00:36:47 by 弹孔
[Gaussian] 高斯版权问题 (2/1338) 111222000 2013-03-30 2013-03-31 15:44:14 by cfmzxf84
[Gaussian] [已完结][关贴]如何计算团簇VDE以便与光电子能谱实验的VDE对比 (9/1828) Aari123 2013-03-22 2013-03-31 14:28:37 by 伟明
[Gaussian] [已完结]如何得到指定原子上的电荷密度差 (7/2148) nnipp 2013-03-29 2013-03-31 13:12:23 by nnipp
[Gaussian] 【求助】gauss 不正常结束 (6/2268) husnjls 2010-10-22 2013-03-31 12:46:16 by 139564@chen
[Gaussian] [已完结]FeO+ 的第一激发态的分子光谱 (4/716) dudulove 2013-03-02 2013-03-31 12:31:36 by dudulove
[Gaussian] 老板说G09做UV-vis模拟直接依据气态优化构型计算？、、？？ (7/1148) lgc020305 2013-03-26 2013-03-30 17:55:18 by coolrainbow
[Gaussian] [已完结]scan同时能否进行布局分析 (4/672) kent1022 2013-03-28 2013-03-30 16:38:59 by kent1022
[Gaussian] [已完结]scan出错 (4/487) 119243775 2013-03-29 2013-03-30 16:24:43 by 119243775
[Gaussian] [已完结]分子振动频率大小能说明什么 (1/2665) 晨曦2009127 2013-03-29 2013-03-29 21:24:11 by 铁甲威虫
[Gaussian] [已完结]含锡化合物的计算基组选择 (3/853) gaffer 2013-03-27 2013-03-29 20:45:21 by sculhf
[Gaussian] [已完结]循环 (1/280) 求知燕子 2013-03-29 2013-03-29 17:08:33 by zhaogaiyun
[Gaussian] [已完结]BOMD波动值大的原因 (0/256) 晨曦2009127 2013-03-29 2013-03-29 16:29:33 by 晨曦2009127
[Gaussian] [已完结]gaussian中NBO计算出现的问题    ( 1 2 ) (10/1941) 萱月琪琪 2013-03-29 2013-03-29 11:14:57 by 萱月琪琪
[Gaussian] [已完结]先固键长进行构象优化再找过渡态的问题 (4/1123) luyang_982 2013-03-25 2013-03-29 10:38:56 by jarry@zyy
[Gaussian] [已完结]关于高斯计算的td文件的chk文件无法打开的问题，求助啊~~ (2/1055) 小樊子 2013-03-26 2013-03-29 10:06:25 by 小樊子
[Gaussian] [已完结]用TDDFT优化激发态 l914 错误，怎么解决啊？ (6/1798) vallen 2011-06-21 2013-03-29 07:55:50 by 312080310
[Gaussian] [已完结]求书《Exploring Chenmistry with Electronic Structure Methods》 (5/1093) fhqwfn123 2011-04-20 2013-03-29 06:29:26 by wei_99
[Gaussian] [已完结]高斯09荧光计算 (5/1491) 461018249 2011-07-11 2013-03-28 21:13:37 by zhangmt
[Gaussian] 【求助】请教Gaussian软件能否计算稀土元素的荧光 (评阅+1) (5/1677) xdj 2011-04-14 2013-03-28 16:30:16 by maizui2003
[Gaussian] [已完结]新手—高斯仿真红外光谱    ( 1 2 3 4 ) (31/4428) 飞天熊 2013-03-05 2013-03-28 15:45:46 by 飞天熊
[Gaussian] [已完结]高斯计算出错 (6/875) zjx187 2013-03-25 2013-03-28 14:38:07 by stalart
[Gaussian] [已完结]德国马普学会 (0/300) wangsihang 2013-03-28 2013-03-28 11:39:41 by wangsihang
[Gaussian] [已完结]高斯里查看优化后，原子间距离查看 (4/3017) 柳誉 2013-03-27 2013-03-28 07:57:28 by yuyin2008
[Gaussian] 大家做NBO分析都用其中的什么内容呢？总觉得自己分析不够透彻... (21/5128) 亍寞 2011-06-22 2013-03-27 11:32:36 by marson
[Gaussian] [已完结]室温反应的能垒大小 (7/1728) crystalzjy 2013-03-22 2013-03-27 11:10:10 by weiyin1977
[Gaussian] [已完结][关贴]同位素加PCM的输入文件 (1/299) qtx0521 2013-03-27 2013-03-27 10:14:11 by qtx0521
[Gaussian] [已完结]如何从高斯中得到价态。 (7/1842) cr147369 2012-09-25 2013-03-27 07:22:31 by marson
[Gaussian] 高斯计算红外光谱 (1/1967) qtx0521 2013-03-26 2013-03-26 19:38:21 by yanrding
[Gaussian] [已完结]审稿人让做计算比较合理性，如何弄    ( 1 2 ) (10/967) zhaoyxcas 2013-03-25 2013-03-26 19:16:32 by zhaoyxcas
[Gaussian] [已完结]zero point corrected dissociation 应该怎么计算 (8/1067) mengfc 2013-03-25 2013-03-26 14:11:24 by mengfc
[Gaussian] [已完结]求DFT有关的研究方向 (5/813) haifengshi 2013-03-25 2013-03-26 11:03:10 by duqian1983
[Gaussian] [已完结]求助相关文献 (0/189) ivylxjlove 2013-03-26 2013-03-26 10:03:09 by ivylxjlove
[Gaussian] [已完结]log文件可以看surface吗？ 菜鸟求教。 (4/1039) tianxiawei 2013-03-22 2013-03-25 20:13:23 by gyli
[Gaussian] Normal termination of Gaussian 却不收敛 (4/1004) 026li 2013-02-01 2013-03-25 17:56:46 by COMMON小小
[Gaussian] [已完结]求一种有机材料 (0/199) 飞天熊 2013-03-25 2013-03-25 16:17:13 by 飞天熊
[Gaussian] [已完结]Gaussian计算单点能 (0/1500) wangsihang 2013-03-25 2013-03-25 14:33:45 by wangsihang
[Gaussian] [已完结]求助晶体结构 (0/271) sangym 2013-03-25 2013-03-25 14:31:51 by sangym
[Gaussian] [已完结]能不能找到过渡态？ (4/721) luyang_982 2013-03-23 2013-03-25 12:40:28 by luyang_982
[Gaussian] [已完结]电子态改变 (3/376) 轩辕重出江湖 2013-03-20 2013-03-25 09:48:59 by 轩辕重出江湖
[Gaussian] [已完结]如何让高斯在优化结构时保持其中某个单键不变 (7/2213) yegui808095 2013-02-26 2013-03-25 08:11:58 by ter20
[Gaussian] [已完结]用高斯在加电压的情况下对体系进行优化，并冻结某个键长不变，关键字应该如何写 (4/1373) yegui808095 2013-03-23 2013-03-24 22:00:56 by stalart
[Gaussian] [已完结]几个高斯的基础问题！！！ (3/1235) 黄金比例 2013-03-23 2013-03-24 21:02:08 by sxm2012
[Gaussian] [已完结]求解决 Error termination in NtrErr: (5/1567) 767550995 2013-03-20 2013-03-24 18:28:24 by sxm2012
[Gaussian] [已完结]高斯计算中碰到一个模型问题 (4/1102) zlbabomb 2013-03-19 2013-03-24 17:03:57 by marson
[Gaussian] [已完结]高斯输入文件 (2/710) lynyan 2013-03-20 2013-03-24 09:51:45 by Dsnow1016
[Gaussian] [已完结]Gaussian 运行错误 (4/1325) WN-farseer 2013-01-08 2013-03-23 20:38:27 by wxb711320
[Gaussian] [已完结]自旋多重度 (8/1455) B612 2013-01-10 2013-03-23 20:36:34 by wxb711320
[Gaussian] Error termination via Lnk1e in d:\g09\l103.exe (9/3738) zhufayan 2011-08-11 2013-03-23 20:11:08 by 舒克sk
[Gaussian] [已完结]红外与拉曼光谱 (5/860) celine蔡 2013-03-16 2013-03-23 11:12:41 by richyardzi
[Gaussian] [已完结]请问几何优化是不是包括scf优化呀，两者区别是什么呀？ (1/902) 兔子lizzy 2013-03-23 2013-03-23 11:03:07 by xyz7819227
[Gaussian] [已完结]写论文 (1/430) 醉天使123 2013-03-23 2013-03-23 11:01:05 by xyz7819227
[Gaussian] 【求助】请问怎样读取前一个文件的Checkpoint文件？ (6/1513) shenailin 2011-03-29 2013-03-23 10:17:05 by sxm2012
[Gaussian] [已完结]高斯输出文件 (8/1483) LynSong 2013-03-20 2013-03-23 08:54:46 by zwbwldzjy
[Gaussian] 【讨论】高斯模拟晶体的吸收光谱 (4/1182) 若只如初见 2011-04-13 2013-03-23 08:23:59 by tsglss
[Gaussian] [已完结]使用B3LYP/cc-pv(T+d)z 基组的输入语法 (0/588) 雨· 2013-03-22 2013-03-22 21:41:49 by 雨·
[Gaussian] [已完结]想计算分子轨道 帮忙看看怎么过不去呢 问题出在哪呢？ (0/191) bjjqmh 2013-03-22 2013-03-22 21:05:25 by bjjqmh
[Gaussian] [已完结]Gaussian 输出文件中的vibrational代表什么 (1/428) 549536348 2012-05-03 2013-03-22 19:10:40 by celine蔡
[Gaussian] [已完结]求gaussian计算超极化率的关键字集合 (1/635) xxjiang 2012-08-17 2013-03-22 19:09:10 by celine蔡
[Gaussian] 溶剂环境中的优化 (2/520) lgc020305 2013-03-21 2013-03-22 17:27:42 by shuangliu
[Gaussian] [已完结]从cube文件画静电势图 (5/2124) nnipp 2013-03-22 2013-03-22 16:09:48 by zhou2009
[Gaussian] [已完结]求解释负本征值跟踪法 (0/201) 119243775 2013-03-22 2013-03-22 14:46:46 by 119243775
[Gaussian] [已完结]请问如何用Monte-Carlo 方法计算分子摩尔体积 (2/819) biaoxue 2013-03-22 2013-03-22 14:00:38 by biaoxue
[Gaussian] [已完结]关于AIP和 AEA怎样答复评审意见 (9/971) kent1022 2013-03-19 2013-03-22 13:02:58 by kent1022
[Gaussian] [已完结]寻Gaussian高手合作！ (1/331) xinahg 2013-03-21 2013-03-22 11:34:28 by kekexili_08
[Gaussian] [已完结]解释不同催化剂的催化C-H活化所需的反应温度不同 (2/761) luyating2005 2013-03-22 2013-03-22 11:26:31 by lily520
[Gaussian] [已完结]那里有免费的Gaussian计算平台提供免费的计算啊？？ (6/778) 铁甲威虫 2013-03-19 2013-03-22 11:03:39 by 铁甲威虫
[Gaussian] [已完结]优化自由基问题 (4/766) 119243775 2013-03-21 2013-03-22 11:02:00 by lishijunzong
[Gaussian] 求问可以计算激发态的量化软件 (6/1359) 精神的飞行者 2013-03-21 2013-03-22 10:34:06 by 精神的飞行者
[Gaussian] [已完结]打开GV出现这一对话框 然后前线轨道和电子密度信息都看不到了 (0/400) beipiao616 2013-03-22 2013-03-22 08:58:06 by beipiao616
[Gaussian] 对TS方法找到过渡态后确定产物的疑惑 (39/4732) lstone03 2012-03-10 2013-03-22 06:12:53 by zlbabomb
[Gaussian] [已完结]用gaussview画出一些分子，若不经过优化，其他软件判断是否稳定存在    ( 1 2 ) (12/2264) 依然怜悯 2013-03-19 2013-03-21 23:49:16 by yongleli
[Gaussian] [已完结]如何解释氢桥键 (2/1222) liuyy2009 2013-03-21 2013-03-21 21:52:46 by liuyy2009
[Gaussian] 开壳层和闭壳层以及多重度的选择（转载） (2/2807) cjl1761 2012-02-23 2013-03-21 16:03:57 by 轩辕重出江湖
[Gaussian] [已完结]找过渡态，虚频太小，结构接下来怎么调才能找到过渡态？ (7/2409) keaiweiwei 2013-01-12 2013-03-21 13:20:54 by marson
[Gaussian] [已完结]不明白怎样看数据    ( 1 2 ) (14/1488) 游牧的 2013-03-20 2013-03-21 10:13:33 by 游牧的
[Gaussian] [已完结]密立根电荷正负~ (0/1355) 盈月流娟 2013-03-21 2013-03-21 09:59:39 by 盈月流娟
[Gaussian] [已完结]激发态化学反应 (1/1087) yangfan0818 2013-03-20 2013-03-21 08:40:59 by yanrding
[Gaussian] [已完结]小白问题：吉布斯自由能和活化能 (6/5092) tnfcqsl 2012-03-20 2013-03-20 22:17:03 by yangzhaodi1978
[Gaussian] 【求助】问个激发态的问题 (4/1097) coolrainbow 2010-06-25 2013-03-20 19:44:11 by ching108
[Gaussian] 【求助】如何精确计算重原子系统    ( 1 2 ) (14/1554) exabyss916 2010-04-28 2013-03-20 19:00:03 by ching108
[Gaussian] [已完结]求解决 gaussian09过渡态优化出现l103错误， (2/794) 767550995 2013-03-20 2013-03-20 17:08:11 by 767550995
[Gaussian] [已完结]有关文章中6-31+G*基组的引用 (6/1255) luojin7653 2013-03-19 2013-03-20 16:50:21 by 追风de老头子
[Gaussian] [已完结]弱相互作用具体指哪些呢？ (7/1631) taylorwang 2013-03-14 2013-03-20 15:37:08 by gmy1990
[Gaussian] [已完结]想用gaussian计算乙烯胺与丁二烯的反应速率常数，求达人指点步骤！ (1/396) luckyyjjun 2012-01-06 2013-03-20 14:01:01 by marson
[Gaussian] [已完结]不同温度下的反应速率常数的测定 (3/1453) 119243775 2012-04-24 2013-03-20 13:57:55 by marson
[Gaussian] BD计算方法 (3/593) kent1022 2013-01-24 2013-03-20 12:31:42 by kent1022
[Gaussian] [已完结]求解：DFT计算对称分子得到HOMO/LUMO电子云分布不对称？ (4/2809) babylons 2013-03-19 2013-03-20 11:06:57 by 312080310
[Gaussian] [已完结]TDDFT 激发态 计算吸收荧光谱 (2/398) DHY19860208 2013-03-19 2013-03-20 10:04:57 by DHY19860208
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