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[热点] 2024 - Atropisomerism in Asymmetric Organic Synthesis asymmsyn 2026-02-05 刚刚
[Gaussian] [已完结]IRC计算得到的过渡态能量比优化的过渡态能量低正常码？ (9/1531) hongsemenghuan 2015-06-28 2015-07-07 01:41:16 by smutao
[Gaussian] [已完结]查看文献有疑问，求解答 (1/473) cug_zhang 2015-07-06 2015-07-06 21:47:03 by oinkmasta
[Gaussian] 【求助】高斯中过渡金属的基组和方法选择    ( 1 2 3 ) (24/9529) honeypeng 2010-11-12 2015-07-06 17:16:23 by xtulidan
[Gaussian] [已完结]新手求教：GaussView启动警告窗口 (6/3053) llccwss 2014-04-01 2015-07-06 17:09:36 by 顾悠然
[Gaussian] 【求助】自旋密度图 (8/2860) 贾贾 2010-01-08 2015-07-06 13:10:35 by kugou521
[Gaussian] [已完结]求一篇小论文 (1/414) hqnwxxjx 2015-07-06 2015-07-06 09:25:18 by hqnwxxjx
[Gaussian] [已完结]GaussView中如何修改变量（键长，键角，二面角） (0/1911) 幸运兔 2015-07-04 2015-07-04 17:23:11 by 幸运兔
[Gaussian] [已完结]64位ubuntu 14.04下安装Gaussian问题 (3/2051) 龙心王 2015-06-02 2015-07-03 22:48:20 by 2ToMemory
[Gaussian] QST2方法找到过渡态后IRC计算出现l202错误    ( 1 2 3 ) (22/2794) ct_kaoyan 2015-06-30 2015-07-03 19:14:43 by ct_kaoyan
[Gaussian] Gaussian 中能同时计算小分子在真空和溶液中各自的能量吗 (0/386) aspirin1235 2015-07-03 2015-07-03 16:53:38 by aspirin1235
[Gaussian] 【求助】Gaussian频率计算出现问题 (6/1881) auybv 2011-03-31 2015-07-03 11:56:31 by daiyang
[Gaussian] [已完结]关于化学反应机理研究的若干问题 (9/1696) kobe_liuxing 2015-07-01 2015-07-02 11:45:27 by kobe_liuxing
[Gaussian] [已完结]高斯计算IRC ，提交任务失败 (4/1594) 阿克飞顿 2015-07-01 2015-07-02 00:17:53 by 阿克飞顿
[Gaussian] [已完结]关于gaussian的输入文件 (3/821) yzmt6jun 2015-06-30 2015-07-01 21:28:58 by oinkmasta
[Gaussian] [已完结]请求帮忙作出能够显示pi轨道和p轨道共轭的图，金币不够续加 (0/500) gx730 2015-07-01 2015-07-01 17:27:23 by gx730
[Gaussian] [已完结][关贴]也来求64-bit version of Gaussian 09W D.01 (3/1047) jjzhzh 2015-07-01 2015-07-01 14:42:23 by keyares
[Gaussian] [已完结][关贴]scan扫描二面角出问题， (0/498) 幸运兔 2015-07-01 2015-07-01 12:19:16 by 幸运兔
[Gaussian] [已完结]CCSD（T）计算输出文件不更新，死掉了吗？    ( 1 2 ) (12/1342) hongsemenghuan 2015-06-27 2015-07-01 09:13:04 by 左边8399
[Gaussian] 【求助】求助化学键在多少温度下断裂问题 (7/3020) cailianguo 2010-12-15 2015-07-01 07:36:03 by 362506130
[Gaussian] 【求助】化学键键能计算的求助 (5/1927) cailianguo 2010-07-27 2015-07-01 07:35:33 by 362506130
[Gaussian] [已完结]高斯计算 G4 (1/1260) piza123 2015-06-30 2015-06-30 20:57:34 by piza123
[Gaussian] [已完结]在高斯中，计算阳离子频率时，输入卡应注意设置什么，基组选什么合适？ (1/864) 1294296022 2015-06-30 2015-06-30 17:48:39 by ZJboy
[Gaussian] [已完结]帮忙分析一些分子的静电势和分子轨道图。。非常感谢 (8/2856) gx730 2015-06-24 2015-06-30 17:45:11 by zhou2009
[Gaussian] [已完结]td做激发态优化出错    ( 1 2 ) (19/3076) 雨晨田木 2012-01-06 2015-06-30 06:22:03 by lyjoy
[Gaussian] [已完结]跪求助用高斯软件计算化合物生成焓 以及HOMO,LUMO (0/1821) 133lele 2015-06-29 2015-06-29 21:05:13 by 133lele
[Gaussian] 在高斯的计算中 有关MO NBO HOMO-LUMO的问题 (6/983) 鳌拜boss 2015-06-27 2015-06-29 14:47:16 by 肉肉姐
[Gaussian] [已完结]求帮忙计算晶体的拉曼光谱！！！急急急！！！万分感谢！！！！ (0/256) Eminence-Xia 2015-06-29 2015-06-29 11:10:19 by Eminence-Xia
[Gaussian] [已完结]分子表面静电势图 (5/4833) 玄泷sunny 2014-09-01 2015-06-29 05:14:49 by 玄泷sunny
[Gaussian] [已完结]【求助】gaussian求助 (1/436) cloris小懒 2015-06-27 2015-06-28 21:45:20 by yongma2008
[Gaussian] [已完结]cd计算 (1/594) tai3936 2012-09-24 2015-06-28 08:29:19 by 1301124352
[Gaussian] [已完结]H…Cl的范德华半径是多少 (0/1631) 拉奇朱丹 2015-06-26 2015-06-26 09:40:13 by 拉奇朱丹
[Gaussian] [已完结][关贴]谁有Gaussian帮我算一下偶极距 (0/211) huangq610 2015-06-26 2015-06-26 09:21:32 by huangq610
[Gaussian] [已完结]求助，QST3计算不能提交计算 (0/377) MichaelCOTW 2015-06-25 2015-06-25 21:59:28 by MichaelCOTW
[Gaussian] [已完结]求一个能够并行的Gaussian 09 for linux (0/334) vigaryang 2015-06-25 2015-06-25 18:14:51 by vigaryang
[Gaussian] [已完结][关贴]高斯软件能算电子耦合么 (0/508) Jayge 2015-06-25 2015-06-25 12:16:40 by Jayge
[Gaussian] [已完结]如何获得某个基团占分子轨道的百分数？ (5/993) minisun 2015-06-02 2015-06-25 10:51:11 by minisun
[Gaussian] [已完结]FSSH上传文件计算遇到的问题 (0/387) 丫丫兮兮1991 2015-06-24 2015-06-24 23:12:50 by 丫丫兮兮1991
[Gaussian] [已完结]高斯计算体积，蒙特卡洛，box或范德华体积轮廓怎么描绘？如何找以前百度云的文章？ (1/588) alanzxw 2015-06-24 2015-06-24 15:27:17 by zhou2009
[Gaussian] [已完结]我用gauss 03计算Ru2（hedp）2Cl,其中Ru用LANL2DZ基组算，其他用6-31G**算出错    ( 1 2 ) (10/1077) 曹贝Caobei 2014-12-06 2015-06-24 08:54:57 by dd521444
[Gaussian] 量化计算中,dzvp(d)(opt+3f)基组信息在哪可以找到？ (0/989) 王苒宝宝 2015-06-23 2015-06-23 21:37:12 by 王苒宝宝
[Gaussian] [已完结][关贴]新手计算遇挫，请大虾给与指点，谢谢 (1/3735) kuyedexiao 2015-06-23 2015-06-23 17:04:43 by kuyedexiao
[Gaussian] [已完结][关贴]BSSE校正计算时的自旋多重度 (0/663) 陈晓翠 2015-06-23 2015-06-23 16:10:39 by 陈晓翠
[Gaussian] [已完结][关贴]关于自旋多重度的设置 (0/598) 陈晓翠 2015-06-23 2015-06-23 16:05:34 by 陈晓翠
[Gaussian] [已完结]如何计算荧光光谱    ( 1 2 ) (11/4488) thelight 2013-06-17 2015-06-23 15:31:45 by zhuyunfy
[Gaussian] [已完结]nbo计算l607.exe报错 (1/2555) crystalzjy 2015-06-18 2015-06-23 11:40:20 by crystalzjy
[Gaussian] [已完结]氢键与其他弱作用力存在时，能单独求出氢键的大小吗 (6/1349) xiemeng101 2014-09-19 2015-06-23 07:29:58 by 十年磨练
[Gaussian] 【求助】mpw1pw91和b3lyp方法的比较    ( 1 2 ) (18/2846) x7511413 2010-08-18 2015-06-22 14:21:45 by keyares
[Gaussian] [已完结]6-31G与默认的STO-3G使用区别    ( 1 2 ) (10/3022) superjjt 2015-01-22 2015-06-21 10:32:24 by wywzjzz
[Gaussian] [已完结]求助这个dell电脑配置能做DFT优化吗，双核稀土配合物，原子数150左右 (4/770) 546373224 2015-06-18 2015-06-21 08:28:22 by qchem
[Gaussian] [已完结]激发态优化一直出错。。急急急！ (3/577) siyecao0425 2015-06-18 2015-06-19 18:04:56 by 小范范1989
[Gaussian] [已完结]gaussview和chemcraft打开同一输出文件给出的构型不一样怎么回事？ (0/562) hongsemenghuan 2015-06-19 2015-06-19 14:29:55 by hongsemenghuan
[Gaussian] [已完结]可否告知下图是怎么算出来的 (3/673) Otar1990 2015-06-12 2015-06-19 13:01:54 by youyno
[Gaussian] [已完结]如何快速计算不同温度下的热力学参数，如焓、自由能等？ (8/4177) biancheng159 2014-09-13 2015-06-19 09:56:26 by biancheng159
[Gaussian] [已完结]量子化学计算与生物问题结合的杂志，求推荐 (0/372) lj900911 2015-06-19 2015-06-19 09:40:46 by lj900911
[Gaussian] 【讨论】键长与键离解能的大小关系    ( 1 2 ) (11/2780) lorna639 2010-04-26 2015-06-19 08:07:38 by ty9023
[Gaussian] [已完结]分子间氢键    ( 1 2 ) (15/1327) 丫丫兮兮1991 2015-06-16 2015-06-18 21:33:21 by 丫丫兮兮1991
[Gaussian] [关贴]关于tpssh泛函优化激发态的问题的咨询 (2/1619) 小范范1989 2015-06-18 2015-06-18 14:58:34 by 小范范1989
[Gaussian] [已完结]GaussView讀取FCHK FILE問題 (0/530) arsc 2015-06-18 2015-06-18 09:35:27 by arsc
[Gaussian] [已完结]L502错误 (3/708) 丫丫兮兮1991 2015-06-17 2015-06-18 09:02:50 by 丫丫兮兮1991
[Gaussian] [已完结]高斯做紫外正常结束但没有紫外数据 (3/700) haibin369 2015-06-16 2015-06-18 06:40:25 by 小范范1989
[Gaussian] [已完结]紫外光谱 (2/492) ly572442382 2015-06-16 2015-06-18 06:39:08 by 小范范1989
[Gaussian] [已完结]分子键型解释 (6/1591) wst129 2015-06-14 2015-06-17 20:48:08 by virtualzx
[Gaussian] 【求助】计算结果出现warning (6/2604) caozf 2010-08-27 2015-06-17 17:36:49 by 2014Lxmc
[Gaussian] [已完结]计算诱导效应和共轭效应 (0/352) baomamotuo 2015-06-17 2015-06-17 10:40:04 by baomamotuo
[Gaussian] [已完结]请计算高手来看看 (0/263) Otar1990 2015-06-17 2015-06-17 08:31:52 by Otar1990
[Gaussian] [已完结]计算ECD出错，请求解决办法 谢谢    ( 1 2 ) (12/2440) wangkaibo123 2015-06-14 2015-06-17 07:03:15 by czyzsu
[Gaussian] [已完结]L502错误求解 (5/1581) 丫丫兮兮1991 2015-06-05 2015-06-16 17:15:17 by 丫丫兮兮1991
[Gaussian] [已完结]求助牛人一个关于溶剂化能量的问题。 (0/396) dlstella 2015-06-16 2015-06-16 08:28:07 by dlstella
[Gaussian] [已完结]寻找anagostic机理的分子结构 (4/465) 我真的是姐姐 2015-06-09 2015-06-16 00:11:14 by wolfzhong
[Gaussian] [已完结]离子是否有重组能？ (0/435) 西藏点点 2015-06-15 2015-06-15 21:41:36 by 西藏点点
[Gaussian] [已完结]关于freqchk出错 (0/639) rainyxiao 2015-06-15 2015-06-15 11:40:44 by rainyxiao
[Gaussian] [已完结]CCSD单点能计算后，自旋污染增加怎么办？ (0/516) hongsemenghuan 2015-06-15 2015-06-15 10:30:16 by hongsemenghuan
[Gaussian] 【求助】高斯计算中收敛标准四个力常数的中文翻译 (5/1878) 紫色雅典娜 2011-03-18 2015-06-14 17:09:16 by 干掉小白兔
[Gaussian] [已完结]新手一些简单问题，就高手告知下    ( 1 2 ) (10/1152) 骑士——老爷 2015-02-02 2015-06-14 15:28:36 by mengqi126
[Gaussian] [已完结]预测疏水性 (2/414) chiweijie 2015-06-14 2015-06-14 13:24:35 by czyzsu
[Gaussian] [已完结]高手们，怎么用gaussview05看主要二面角啊还有gaussians扫描势能面啊？ (1/989) 学员2riAwe 2015-06-12 2015-06-12 20:50:34 by 东邪-吸毒
[Gaussian] [已完结]Microiterations cycle 26 out of a maximum of 25 (6/1065) liaoliao0510 2013-03-08 2015-06-12 13:14:22 by 太极夫人
[Gaussian] [已完结][关贴]求DUSHIN的说明书和例子 (0/932) chiweijie 2015-06-12 2015-06-12 12:56:54 by chiweijie
[Gaussian] [已完结]gaussian输入文件的内坐标输出形式 (9/2318) 十年磨练 2015-06-09 2015-06-12 09:21:47 by 十年磨练
[Gaussian] [已完结]求助高斯计算单点能 (0/1536) zkyu123456 2015-06-11 2015-06-11 10:49:21 by zkyu123456
[Gaussian] [已完结]Gauss09中如何用cubman生成Fukui0的cube文件 (5/1824) 大剑2012 2013-08-28 2015-06-11 07:50:36 by xilicui
[Gaussian] [已完结]用高斯寻找过渡态的思路 (4/2366) syh8938106 2015-03-18 2015-06-10 06:50:36 by 小范范1989
[Gaussian] [已完结]高斯09 DFT 优化T1态, 可以先优化完结构, 再算频率吗? (9/2655) helei06 2015-03-25 2015-06-09 21:53:50 by lastzealot
[Gaussian] [已完结]Gaussian输入文件使用内坐标的问题 (5/1788) _Smile_ 2015-06-06 2015-06-09 11:02:05 by 十年磨练
[Gaussian] [已完结]相互作用计算 (1/610) 小四黑906 2015-06-08 2015-06-08 21:12:52 by zhou2009
[Gaussian] [已完结][关贴]金属配合物的键能计算 (6/1948) anmin0127 2015-05-27 2015-06-08 10:51:53 by anmin0127
[Gaussian] [已完结]崩溃中，怎么一直运行不了呢 (2/785) dong5391 2015-06-07 2015-06-08 09:32:46 by 枪下游魂
[Gaussian] [已完结]关于计算紫外和荧光光谱 (1/816) lastzealot 2015-06-07 2015-06-07 23:18:25 by 小范范1989
[Gaussian] [已完结]各位虫友帮忙看一下这个是怎么回事 (4/695) Otar1990 2015-06-07 2015-06-07 23:12:38 by 小范范1989
[Gaussian] [已完结]碳纳米管的gjf输入文件，跪求！ (4/993) 李跃辉77 2015-06-05 2015-06-07 18:16:42 by 小范范1989
[Gaussian] 精华II:  【求助】Molecular electrostatic potential (MEP) maps 分子静电势怎样计算？    ( 1 2 3 ) (22/6066) loovfnd 2009-07-10 2015-06-07 15:24:38 by 小范范1989
[Gaussian] [已完结]高斯计算时一直收敛不了，不知有没有这方面的高手给指导一下 (1/887) dong5391 2015-06-05 2015-06-06 06:23:56 by 拉奇朱丹
[Gaussian] [已完结]ωe.xe.ωe.ye.非谐性常数的值 (0/553) alex1127 2015-06-05 2015-06-05 18:02:07 by alex1127
[Gaussian] [已完结]改变分子的自旋多重度，优化后分子构型是否一样？ (1/285) 西藏点点 2015-06-05 2015-06-05 09:42:47 by gauss98
[Gaussian] [已完结]求助各位大神，拿到晶体的cif文件后，怎么计算紫外可见吸收 (2/431) ecechrm565 2015-06-03 2015-06-04 22:11:47 by lgc020305
[Gaussian] [已完结]请问高斯可以计算某物质标况下焓？ (1/515) 妞妞922 2015-06-01 2015-06-04 21:40:11 by 妞妞922
[Gaussian] [已完结]请问各位大侠，高斯L913错误怎么解决？？？？ (0/1071) jingfuqiang 2015-06-03 2015-06-03 17:29:11 by jingfuqiang
[Gaussian] [已完结]Gaussian计算的原理    ( 1 2 ) (15/2498) 太阳1005 2015-05-27 2015-06-03 14:36:33 by 太阳1005
[Gaussian] [已完结]高斯如何设置模拟酸碱性关键词 (0/348) haibin369 2015-06-03 2015-06-03 08:39:24 by haibin369
[Gaussian] [已完结][关贴]高斯软件计算有机盐的摩尔生成焓 (1/1798) chaihx2011 2015-06-02 2015-06-02 23:58:34 by zkyu123456
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