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[热点] 救命帖 xiaoyu2022 2026-01-25 刚刚
[Gaussian] [已完结][关贴]500BB求助帮忙消除结构的7个虚频（方法和点群不能变呀） (7/808) woxiangfei 2012-07-06 2012-07-07 16:58:42 by t13340033021
[Gaussian] [已完结]aug-cc-pvtz-pp (6/1859) xiehua 2012-05-13 2012-07-07 00:09:37 by lywiailyw
[Gaussian] [已完结]有坐标怎么看结构啊？    ( 1 2 3 ) (20/1494) hustzju 2012-07-06 2012-07-06 22:25:34 by Siriusgoul
[Gaussian] [已完结]CHK文件怎么会打不开？ (6/1243) 婷婷-啦啦 2012-07-06 2012-07-06 21:57:03 by lywiailyw
[其他] 发现了一个学术操守极低的韩国人 (19/2543) 雨晨田木 2012-07-04 2012-07-06 16:23:55 by lyq0120
[SAPT/AO ] [已完结][求助]求AOMix软件 (3/1089) chuanan027 2012-07-06 2012-07-06 15:19:26 by chuanan027
[Gaussian] [已完结]高斯算出来的结构如何画成椭球图啊 (3/898) t13340033021 2012-06-23 2012-07-06 14:33:42 by stevenabing
[Gaussian] [已完结][关贴]高斯错误 (5/689) ^隐形的翅膀^ 2012-07-04 2012-07-06 09:14:02 by ^隐形的翅膀^
[Gaussian] [已完结][关贴]gaussian09 linux安装问题 (5/2411) leospindrift 2012-03-10 2012-07-06 05:40:54 by jove1782
[Gaussian] [已完结]gaussian09 linux安装出错 (6/1377) leospindrift 2012-03-16 2012-07-06 05:38:04 by jove1782
[其他] 荧光激发光谱 吸收光谱 (3/1568) qxd568910294 2012-07-02 2012-07-05 21:57:54 by qxd568910294
[Linux应 ] [已完结][关贴]Linux系统分区错误，如何修复 (2/1141) xk6891 2012-07-04 2012-07-05 17:32:31 by xk6891
[Gaussian] [已完结]关于irc restart的一个问题 (5/1736) kingleaves 2012-06-19 2012-07-05 13:53:24 by weiyin1977
[Gaussian] [已完结]在做结构优化时在计算频率阶段断了，该怎么接频率呀 (5/768) wuyoung 2012-07-04 2012-07-05 11:16:52 by xiaowandouer
[Gaussian] gaussian研究有机催化反应机理 (18/2774) happy111839 2011-11-09 2012-07-05 10:33:08 by 快乐至上7868
[量化新手 ] [已完结]化学反应中的隧道效应校正因子 (2/1273) shaonan 2012-07-01 2012-07-04 21:41:11 by 1989shaonan
[Multiwfn] [已完结]如何得到静电势的相关参数？ (6/1531) lorna639 2012-07-03 2012-07-04 20:15:36 by lorna639
[Gaussian] [已完结]求做高斯题 (评阅-20) (9/641) fym11fym 2012-07-01 2012-07-04 07:32:39 by fym11fym
[Gaussian] [已完结]谁帮忙看看六氯苯和氢原子作用的输入文件 100金币 (7/1427) tangshi141 2012-07-01 2012-07-03 19:01:40 by zhaochuanfan
[个人文集] 【il701个人文集】菜鸟现学现卖：GView作图    ( 1 2 ) (评阅+10) (QC强帖+1)(18/2903) il701 2010-06-04 2012-07-03 17:06:31 by 安德
[Gaussian] [已完结]大侠，我用高斯对同一个结构进行优化，用高精度算没有虚频，为什么半经验AM1算有虚呀 (5/1571) woxiangfei 2012-07-01 2012-07-03 16:02:23 by t13340033021
[Gaussian] [已完结]使用Gaussian (1/594) aggie.chen 2012-07-02 2012-07-02 20:05:16 by wxl3862886
[Gaussian] [已完结]谁能解释一下oniom计算中分子坐标部分的意义 (1/306) chunhui201 2012-06-29 2012-07-02 18:42:48 by chunhui201
[Gaussian] 这个丙二腈水解过渡态构型对不对？（附图三张） (1/332) aywater 2012-06-23 2012-07-02 15:13:20 by willcy722
[其他] [已完结][关贴]请问有没有人算过溶液的介电常数？ (0/3731) 学员7u7Nv3 2012-07-02 2012-07-02 14:46:04 by xiaopichong
[Gaussian] [已完结]Gaussianview怎么会打不开啊 (3/1288) zhouzhiguang 2012-07-01 2012-07-02 13:15:22 by lishijunzong
[其他] 【求助】求助关于GAR2PED指认苯环 (3/839) hexinchem 2011-04-03 2012-07-02 13:00:47 by zhanping
[Gaussian] [已完结]如何计算配位键的键能？ (3/1945) nonesuch23 2012-06-21 2012-07-02 11:19:12 by gujing136
[Gaussian] [已完结]溶液中的相互作用能量 (1/486) vigaryang 2012-06-30 2012-07-02 10:24:32 by sduzhaoyyang
[Gaussian] [已完结]【求助】在计算单点能时scf=tight的作用，非加不可吗？ (6/1701) zky322003 2012-06-29 2012-07-02 09:46:29 by meteoric30
[其他] [已完结]2D QSAR模型中的相关系数与3D QSAR的哪个相关系数有可比性 (1/751) 497407512 2012-07-01 2012-07-02 08:21:31 by 497407512
[Gaussian] [已完结]求casscf 就算实例 (3/677) lishijunzong 2012-06-29 2012-07-01 22:17:28 by gmy1990
[文章故事] [已完结]50金币求助电荷计算的高手，这句话如何理解？ (3/1453) zyblhyzyx 2012-07-01 2012-07-01 20:58:08 by Siriusgoul
[Gaussian] [已完结]求助关于双聚体BSSE的问题 (4/759) wuyoung 2012-06-29 2012-07-01 19:40:26 by paulingxu
[Gaussian] [已完结]singlet biradical character (1/525) hxzjt 2012-06-29 2012-07-01 17:14:03 by CKX
[文章故事] 求助投什么期刊啊。。。    ( 1 2 ) (15/2109) 左转单车 2012-06-26 2012-06-30 22:49:27 by littlegao
[Gaussian] [已完结][关贴]高斯高手请进来 (1/532) 学员jDhte6 2012-06-29 2012-06-30 19:42:58 by 不喜欢豆芽
[Gaussian] [已完结]请问大家对配位点的理解 (7/1242) lishijunzong 2012-06-28 2012-06-30 18:09:29 by lishijunzong
[Gaussian] CAS交叉点计算中总是出现L9999错误 (4/659) 左手疗伤 2012-06-30 2012-06-30 13:25:25 by 左手疗伤
[Gaussian] [已完结]做Guassian配电脑，高手帮忙看一下OK否 ? ^-^    ( 1 2 ) (13/1454) vividwill 2012-06-26 2012-06-30 13:14:43 by vividwill
[Gaussian] [已完结]Guassian 国外购买，国内使用的可行性？ (2/458) vividwill 2012-06-29 2012-06-30 13:12:47 by vividwill
[其他] 俺看那啥啥跟那啥啥之争 (5/1217) yalefield 2012-06-29 2012-06-30 11:55:59 by 书万里
[Gaussian] [已完结]在溶剂中计算BSSE时 还需要把溶剂的关键词写上吗 (8/1152) sunjiani 2012-06-28 2012-06-30 11:20:55 by vigaryang
[Gaussian] [已完结]求教：高斯如何计算单重态（激发态）过渡态 (7/2341) wuhen116 2012-06-28 2012-06-30 10:30:40 by wuhen116
[Gaussian] [已完结]高斯菜鸟求助啊，来大神啊    ( 1 2 ) (10/1389) xyz7819227 2012-06-25 2012-06-29 21:41:53 by xyz7819227
[Linux应 ] [已完结]G09安装各步骤的实际意义    ( 1 2 ) (评阅-98) (10/3316) quantumor 2012-06-27 2012-06-29 18:00:47 by nyzhaoyin
[Gaussian] [已完结]急！急！急！高斯中做溶剂效应PCM得到的HF能量有没有考虑dispersion energy (4/1066) licaiqin 2012-03-10 2012-06-29 16:53:00 by dingjunxia
[其他] 氢受体是否就是电子供体？求教，谢谢 (2/2803) twtfly 2012-06-26 2012-06-29 12:17:30 by zxdcs1010
[Gaussian] 高斯版权购买 (15/3028) sculhf 2012-06-20 2012-06-28 20:59:47 by vividwill
[Gaussian] [已完结]fchk转化求助，急求！！！ (0/442) feiyang1210 2012-06-28 2012-06-28 12:58:54 by feiyang1210
[Gaussian] [已完结][关贴]怎么算过渡态 (0/839) 学员jDhte6 2012-06-28 2012-06-28 10:30:40 by zwnjust
[其他] [已完结]求助，有了解TPSS-D3和DSD-BLYP-D3等D3方法的吗？ (0/607) llhxaustin 2012-06-28 2012-06-28 10:24:53 by llhxaustin
[其他] [已完结]搞有机材料出身的想转行搞量化计算，困难吗？上手快吗？    ( 1 2 ) (18/3747) waitwk 2012-06-27 2012-06-28 10:14:54 by 周帅happy
[ADF/Dal ] [已完结]ADF在linux下安装的并行设置 (8/1437) 贺仪 2012-06-24 2012-06-27 21:54:54 by 贺仪
[量化新手 ] [已完结]求助： 如何用 Gaussian view 构建碳纳米管（不同直径的）？ (2/1450) listarstar 2011-07-25 2012-06-27 19:07:00 by sheep0930
[Gaussian] 关于限制开壳层计算的适用范围 (8/1513) gtolv8688 2011-05-15 2012-06-27 18:26:11 by huhuaiyu
[Multiwfn] [已完结]Multiwfn的初步学习，越详细越好。 (6/1645) juan_chong 2012-06-25 2012-06-27 16:07:51 by gmy1990
[量化图形 ] [已完结]求最新的gaussview for linux (3/1528) 2504305356 2012-05-06 2012-06-27 15:51:29 by 狼外婆
[Gaussian] [已完结]请问谁有G03W下example文件夹中的所有gjf的示例啊，麻烦给我发一份啊 (2/534) 123just 2012-06-27 2012-06-27 15:46:02 by zhou2009
[量化新手 ] [已完结]如何在linux在使用高斯 (3/1408) B612 2012-06-21 2012-06-27 11:34:07 by B612
[Gaussian] 【求助】ionization potential 计算 (6/887) zxl102623 2010-12-24 2012-06-27 11:13:37 by qyyos
[Gaussian] [已完结]构型优化自动退出，求助 (2/705) feiyang1210 2012-06-26 2012-06-27 08:53:53 by feiyang1210
[Gaussian] [已完结]下面两个物种需不需要做bsse矫正？    ( 1 2 ) (19/1101) kaegi 2012-06-20 2012-06-27 08:45:04 by kaegi
[Gaussian] [已完结]g09 计算莫名停止 (2/826) sunmuer 2012-06-14 2012-06-27 08:08:02 by zdgclf
[Gaussian] 高斯计算的问题？？ (5/1256) 111222000 2012-04-29 2012-06-26 21:17:11 by 思雨G十年
[Gaussian] [已完结]关于angstrom的cube文件 (3/497) zsjan 2012-06-24 2012-06-26 00:50:16 by sobereva
[Gaussian] [已完结]高斯，DFT计算70个左右原子的化合物，电脑配置的要求 (6/2296) shishi722 2012-06-23 2012-06-25 21:17:57 by yulucky
[Gaussian] [已完结]寻找过渡态 (3/493) cindy816s 2012-06-21 2012-06-25 18:25:24 by 左手疗伤
[Gaussian] [已完结]gaussview数据如何导入origin？ (1/1654) 龙山狮崖 2012-06-23 2012-06-25 15:59:39 by 小樊子
[Gaussian] [已完结]Gaussian 09 计算出来的chk文件无法转化成fchk文件，求高手指教！ (9/3184) wuhen116 2012-06-21 2012-06-25 09:53:28 by wuhen116
[Gaussian] [已完结]高斯计算有序品 (4/540) 小樊子 2012-06-20 2012-06-24 12:31:10 by 左手疗伤
[Gaussian] [已完结][关贴]重装系统后gaussian view打不开 (0/773) oneil 2012-06-23 2012-06-23 20:51:32 by oneil
[Gaussian] [已完结]計算激發態的方法 (2/354) superAchung 2012-06-21 2012-06-23 16:37:40 by yumu0411
[Gaussian] HNU暑期计算化学强化训练    ( 1 2 3 4 ) (评阅+5) (39/2995) ZDBWHZ 2011-06-20 2012-06-23 08:37:53 by ZDBWHZ
[Gaussian] [已完结]麻烦各位高手看一下这个输入文件的错误之处 (3/625) ^隐形的翅膀^ 2012-06-21 2012-06-22 23:13:45 by 求学之子
[Gaussian] [已完结]如果对空原子（加入对应氧原子的弥散SP轨道），请问大家具体的系数是什么。 (0/453) 行云流水cs 2012-06-21 2012-06-22 13:18:35 by 行云流水cs
[Gaussian] [已完结]关于苯并咪唑酸性环境中质子化结构的优化 (0/1098) shishi722 2012-06-22 2012-06-22 11:43:47 by shishi722
[Gaussian] [已完结]求助计算三重态的拉曼光谱！ (4/508) Captain-Jack 2012-06-20 2012-06-21 14:48:06 by 左手疗伤
[量化新手 ] Gaussian计算固体材料的Raman和红外光谱 (2/921) tulipzhao 2012-06-19 2012-06-21 12:22:33 by beefly
[其他] [已完结][PolyRate] 有COMPLEX的REACTION 輸入文件問題 (1/341) arsc 2012-06-20 2012-06-21 11:23:47 by sduzhaoyyang
[其他] 最新一期《化学进展》值得去扫一遍啊 (17/1891) Jasminer 2012-06-18 2012-06-20 23:14:23 by my1003
[Gaussian] [已完结]求助大虾门帮忙优化个构型，小弟不胜感激 (0/264) 白衣踱江 2012-06-20 2012-06-20 17:32:08 by 白衣踱江
[其他] [已完结]編譯PolyRate 2008 for VRC-VTST (7/1896) arsc 2012-03-18 2012-06-20 16:48:11 by sduzhaoyyang
[其他] [已完结]PolyRate 輸入文件 (fu31) 有沒有一些較簡單的準備方法 (3/968) arsc 2012-03-23 2012-06-20 16:37:16 by sduzhaoyyang
[Gaussian] [已完结]【求助】高斯中怎样做scan做二面角变化的能量曲线。 (2/947) 阿泰斯特 2012-06-16 2012-06-20 16:33:15 by 飘逸110
[Gaussian] [已完结]IRC 分往R/F方向跑 为什么结果文件中给出的初始结构不完全一致 (0/384) lixiaocat 2012-06-20 2012-06-20 15:04:37 by lixiaocat
[其他] 【求助】那个软件能画出比较漂亮的轨道波函数？ (5/1521) dhc198611 2011-02-27 2012-06-20 12:37:12 by WDD880227
[Gaussian] [已完结]Gaussian中NBO (0/1687) cjl1761 2012-06-12 2012-06-20 11:18:40 by cjl1761
[Gaussian] [已完结]采用Gaussian03程序计算对应于乙醛分子第一激发态 (0/256) crazy0o0 2012-06-17 2012-06-20 11:16:27 by crazy0o0
[Gaussian] [已完结]求助 高斯计算出错 (0/683) 忧伤的小猪 2012-06-19 2012-06-20 11:13:59 by 忧伤的小猪
[Gaussian] [已完结]请问我优化好结果后，C-C单键键长为1.64958，怎么在GView中显示不出它们的连接呀？ (6/1194) woxiangfei 2012-06-17 2012-06-20 10:36:40 by cjl1761
[量化图形 ] [已完结]急问高人！origin中多峰拟合的半锋宽是多少？ (3/1487) zzl7337 2012-06-20 2012-06-20 09:47:25 by gmy1990
[ADF/Dal ] [已完结]adf：没有那个文件或目录 十万火急求助！ (2/464) mmmy007 2012-05-24 2012-06-20 09:04:51 by mmmy007
[Gaussian] [已完结]文件生成问题 (7/445) 119243775 2012-06-19 2012-06-20 00:06:41 by 119243775
[Gaussian] [已完结]氮氮单键和双键的键能值是多少？ (0/1949) liangyh 2012-06-19 2012-06-19 20:15:56 by liangyh
[Gaussian] [已完结]Gaussview 中如何显示偶极矩的方向 (2/5130) anna-80 2012-06-19 2012-06-19 16:05:41 by anna-80
[Molpro/ ] [已完结]casscf中轨道的调整 (1/1397) yqzhang6518 2011-06-21 2012-06-19 13:05:59 by 左手疗伤
[Gaussian] [已完结]高斯03 Pt采用LANL2TZ 基组 应怎样写输入文件 (3/2659) juty136 2012-06-19 2012-06-19 11:44:01 by juty136
[Gaussian] [已完结]激发态之间的跃迁偶极矩 (6/1270) superrice 2012-06-18 2012-06-19 11:05:36 by superrice
[Multiwfn] Multiwfn和Gaussian计算体积的差别在哪里？ (1/1368) bizi294 2012-06-16 2012-06-19 08:44:25 by sobereva
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