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[热点] 面上基金申报没有其他的参与者成吗 默默的小虫子 2026-02-07 刚刚
[Gaussian] IRC 求助 (6/625) qbaiyi 2013-01-12 2013-01-16 10:46:04 by 银色蒲公英
[Gaussian] [已完结]单点能 (2/464) cj陈娇 2013-01-15 2013-01-16 10:31:29 by 左手疗伤
[Gaussian] [已完结]IRC (5/880) cj陈娇 2013-01-14 2013-01-15 21:21:52 by ifree
[Gaussian] [已完结]求助断电后续算算的对不对 (1/364) ha3113897 2013-01-15 2013-01-15 17:45:53 by ha3113897
[Gaussian] [已完结]计算化学便面势能怎么在CHK文件里看 (8/1411) 自由的天空 2013-01-13 2013-01-15 17:42:13 by wisdom182
[Gaussian] [已完结][关贴]求助ANPyO生成焓。 (3/378) leinuo2005 2013-01-15 2013-01-15 10:18:22 by chengjian09
[Gaussian] [已完结]为什么出现总是运行不了~不知道哪里处错误了 (9/1178) keke1987 2013-01-11 2013-01-15 10:02:51 by keke1987
[Gaussian] [已完结]IRC (9/732) xhz1967 2013-01-08 2013-01-14 21:44:44 by xhz1967
[Gaussian] [已完结]NBO计算结果问题 (8/2209) XYLF 2012-05-13 2013-01-14 17:01:37 by qiong--yang
[Gaussian] [已完结]可追加金币：用gaussview建模的时候怎么指认原子 (2/431) wucx1234 2013-01-11 2013-01-14 15:07:05 by wucx1234
[Gaussian] [已完结]高斯计算反应机理，如何考虑非谐效应呢 (7/1587) xiafuting 2013-01-12 2013-01-14 15:03:55 by arsc
[Gaussian] [已完结]G09-oniom优化过渡态L103错误，使用opt=cartesian报错 (1/1791) 雨萍 2012-08-08 2013-01-14 11:56:28 by 飞鱼飞鱼
[Gaussian] guess=check 最后结构另存没有坐标 (3/563) 026li 2013-01-11 2013-01-13 16:50:53 by 026li
[Gaussian] [已完结]请问这段话说明是不是基组有多少个？ (3/598) Captain-Jack 2013-01-13 2013-01-13 14:02:01 by xyz7819227
[Gaussian] [已完结]在高斯计算结果中如何找到力常数 (1/1065) gh1058 2013-01-11 2013-01-13 12:22:42 by gmy1990
[Gaussian] [已完结]请教大侠们，用高斯算的，审稿人说没考虑非谐效应，该怎么考虑呢 (2/413) xiafuting 2013-01-11 2013-01-13 12:07:33 by gmy1990
[Gaussian] [已完结]【GV画图】新手走投无路，求帮画。。。 (4/849) thonry 2013-01-10 2013-01-12 18:32:25 by 南飞探
[Gaussian] [已完结]求助 用B3LYP算金属化合物基态与实验报道不一致 怎么处理 (4/611) tanghao86 2013-01-08 2013-01-12 15:10:41 by 小蜗牛8728
[Gaussian] [已完结]DFT不收敛问题 (0/1238) wuni814615 2013-01-11 2013-01-12 14:47:11 by wuni814615
[Gaussian] 【讨论】用高斯计算性质 (7/780) honeypeng 2010-12-10 2013-01-12 07:43:17 by 凤羽123
[Gaussian] [已完结][关贴]Gaussian 可以在施加匀磁场下做单点SCF自洽吗？ (1/345) t13340033021 2013-01-11 2013-01-11 20:34:09 by ZDBWHZ
[Gaussian] [已完结]新手求助 高人请进 二面角和扭转角 (3/1887) luyang_982 2013-01-10 2013-01-11 15:39:00 by 原来是梦8804
[Gaussian] [已完结]求助，大神们看看这个文件，到底什么地方不对，每次运行都出错 (0/212) sweety0807 2013-01-11 2013-01-11 11:27:53 by sweety0807
[Gaussian] [已完结]收敛精度 (2/490) 婷婷-啦啦 2013-01-10 2013-01-11 11:18:20 by 婷婷-啦啦
[Gaussian] [已完结]高斯计算能量    ( 1 2 ) (17/2502) yangwenpeng 2012-08-11 2013-01-11 07:37:12 by damihu2011
[Gaussian] [已完结]请教关于势能面的扫描 (1/592) lty_198211 2013-01-10 2013-01-11 04:22:17 by astringent
[Gaussian] win 下 使用足够内存运行高斯的方法 (2/1412) t13340033021 2013-01-08 2013-01-10 21:54:40 by 0000372
[Gaussian] [已完结]核磁计算 (8/1452) wzq70402 2013-01-07 2013-01-10 16:14:20 by wzq70402
[Gaussian] [已完结]确定分子点群之后，优化得到的分子点群为什么还是会变 (4/1150) kexue001 2012-12-29 2013-01-10 10:37:16 by yanrding
[Gaussian] [已完结]高斯03计算羧酸铁（三价）的问题 (6/741) 527432468 2013-01-07 2013-01-10 09:54:29 by meteoric30
[Gaussian] [已完结]单点能出错 (7/628) zhuohongying 2013-01-06 2013-01-09 18:05:14 by xiaowandouer
[Gaussian] [已完结]分子轨道能级与实验误差较大    ( 1 2 ) (13/1795) tyq870323 2013-01-02 2013-01-09 09:15:38 by yanrding
[Gaussian] 【求助】氧化势的计算方法    ( 1 2 ) (10/2668) 求学者@凤子 2010-09-18 2013-01-08 17:15:08 by keaiweiwei
[Gaussian] [已完结]高斯中mulliken重叠布居数怎么算 (0/1642) manester52 2013-01-08 2013-01-08 16:37:57 by manester52
[Gaussian] [已完结]gaussian 批处理时出现错误 (0/430) skywyy2011 2013-01-08 2013-01-08 14:03:05 by skywyy2011
[Gaussian] [已完结]关于电荷密度大小（包括正负值）对电子云密度或净电荷有什么关系 (2/9111) haifengshi 2013-01-06 2013-01-08 10:43:37 by zhou2009
[Gaussian] [已完结]ONIOM电荷设置问题 (2/1679) 贺仪 2013-01-07 2013-01-08 09:44:41 by 贺仪
[Gaussian] [已完结]｛求助｝用gaussian做IRC分析，IRC曲线突然有向下的跳点。。相关问题求解答。。谢谢了    ( 1 2 ) (10/2084) 轩辕重出江湖 2012-08-25 2013-01-08 06:12:49 by luosizuo
[Gaussian] [已完结]oniom洋葱模型优化分子正常结束但是分子乱了 (0/558) totoymy 2013-01-04 2013-01-07 18:06:21 by totoymy
[Gaussian] [已完结]gaussian计算的sigma-profile图谱与turbomole计算出来的差别很大 (5/1412) 心仪天下 2013-01-06 2013-01-07 12:27:24 by abbott
[Gaussian] IRC (10/787) lei234 2013-01-04 2013-01-06 18:16:55 by yingying1588
[Gaussian] [已完结]关于mp2理论优化几何构型的收敛问题 (5/913) ice625 2012-08-14 2013-01-06 18:02:11 by jackwangee
[Gaussian] [已完结][关贴]求助三重态的计算，以氧分子和含氧有机小分子为例，谢谢 (2/779) arisun8818 2013-01-02 2013-01-06 11:02:58 by xiaowandouer
[Gaussian] [已完结]紫外光谱计算用什么方法和基组比较准确？    ( 1 2 ) (15/3043) muxiachuixue 2012-02-06 2013-01-06 06:18:46 by wisdom182
[Gaussian] [已完结]氢氧化铯优化应该选择什么基组呢？求助！ (1/434) 日光倾城echo 2013-01-05 2013-01-05 20:13:50 by lishijunzong
[Gaussian] [已完结]基组的选择 (1/587) wangsihang 2013-01-02 2013-01-05 17:13:49 by loovfnd
[Gaussian] IRC (1/280) cj陈娇 2013-01-04 2013-01-05 12:29:33 by luosizuo
[Gaussian] [已完结]高斯中拉曼光谱怎么得到 (2/1714) 源丽 2013-01-04 2013-01-05 11:10:22 by xyz7819227
[Gaussian] [已完结]PM2方法计算单点能的关键词 (0/311) wuyoung 2013-01-04 2013-01-05 10:27:15 by wuyoung
[Gaussian] [已完结]量子化学可以计算高温非均相反应过程吗？ (3/644) zdlqwer 2013-01-01 2013-01-05 08:47:21 by yanrding
[Gaussian] [已完结]苯乙炔大小 (2/391) 因果成眠 2013-01-04 2013-01-04 23:03:30 by t13340033021
[Gaussian] [已完结]为何找不到g09.profile文件 (2/923) 172304 2013-01-04 2013-01-04 22:01:30 by gmy1990
[Gaussian] [已完结]gaussain 03 计算过渡态出错了 (3/1415) 1019472952 2012-12-29 2013-01-04 21:03:00 by 日光倾城echo
[Gaussian] [已完结]高斯模拟的TiO2结构对吗    ( 1 2 ) (10/1270) hanqingyan 2012-12-31 2013-01-04 18:55:19 by hanqingyan
[Gaussian] [已完结]T1diagnostic (1/919) 1160193784 2013-01-03 2013-01-04 17:08:49 by hairan
[Gaussian] [已完结]基组的选择问题 (5/865) klaus1987 2012-12-29 2013-01-03 16:22:02 by klaus1987
[Gaussian] [已完结]求助混合基组的写法 (5/1480) biohu 2013-01-01 2013-01-02 16:26:48 by sobereva
[Gaussian] [已完结]计算同一个分子在基态时不同构型的能量 (5/1146) lty_198211 2012-12-31 2013-01-02 14:18:50 by 雪狼乖乖
[Gaussian] [已完结]TDDFT计算最大吸收波长与实验误差较大怎么办 (5/1273) superrice 2012-05-09 2013-01-02 14:03:39 by superrice
[Gaussian] [已完结]前驱复合物 (4/426) cj陈娇 2012-12-30 2013-01-02 13:26:36 by xyz7819227
[Gaussian] [已完结]有木有计算溶液中化合物不加溶剂化作用比加了溶剂还要准的？ (2/376) luojin7653 2013-01-01 2013-01-02 12:45:16 by luojin7653
[Gaussian] [已完结]请问EMSL basis set exchange网站不再免费了吗 (5/1740) haixia689 2012-12-11 2013-01-02 11:17:21 by 0502114073
[Gaussian] [已完结]如何从高斯输出文件中分析成键情况 (2/1543) 1160193784 2013-01-01 2013-01-02 08:15:50 by hanzhang
[Gaussian] [已完结]求助两种优化结果是否会不同 (2/252) lltyy 2013-01-01 2013-01-01 21:46:52 by wisdom182
[Gaussian] [已完结]gaussian09安装求助， (1/574) 172304 2012-12-31 2012-12-31 14:19:45 by gengle
[Gaussian] 高斯的BUG？速来围观 (0/329) t13340033021 2012-12-31 2012-12-31 12:12:24 by t13340033021
[Gaussian] [已完结]化学键重叠布居数分析中的负值问题 (3/1296) wanghanlu 2012-12-27 2012-12-30 19:17:34 by sobereva
[Gaussian] 【求助】绝对熵值的计算 (8/2235) 求学者@凤子 2010-11-23 2012-12-30 13:47:39 by keaiweiwei
[Gaussian] [已完结][关贴]求Gaussian03和09 的Linux 64位版本 (0/340) 铁甲威虫 2012-12-29 2012-12-29 18:39:12 by 铁甲威虫
[Gaussian] [已完结]【求助】如何用高斯计算超精细耦合常数 (8/3221) ronnie5031 2011-06-17 2012-12-29 16:45:05 by qtx0521
[Gaussian] [已完结]求助B3LYP6-31G频率校正因子文献出处 (1/660) tangzhoushuo 2012-12-26 2012-12-29 12:54:52 by youji
[Gaussian] [已完结]计算双自由基体系 (5/1580) dreamyeye 2012-04-22 2012-12-29 12:47:45 by star2010
[Gaussian] [已完结]Gaussian 03 test589 (1/323) vigaryang 2012-12-27 2012-12-29 10:56:07 by Jasminer
[Gaussian] [已完结]怎么求高斯输出文件-重叠矩阵-哈密顿矩阵的 (1/529) damao4361556 2012-12-27 2012-12-28 16:37:41 by zhou2009
[Gaussian] [已完结]高手生物高分子（biopolymer）的结构图 (3/724) phbgp 2012-12-27 2012-12-28 10:38:08 by lazierboy
[Gaussian] [已完结]两个片段对接几种不同构型优化出的能量差多少可认为是忽略呢（构型上不是差很远） (2/358) 夏天的娃 2012-12-26 2012-12-28 10:06:16 by 夏天的娃
[Gaussian] [已完结]求助通过量子计算怎么看出是(LE)态和（TICT) 态 (2/878) wei_99 2012-12-19 2012-12-28 09:25:47 by wei_99
[Gaussian] [已完结]不同软件，怎么结构还能不一样的？ (1/331) lltyy 2012-12-27 2012-12-28 04:20:56 by zhangmt
[Gaussian] [已完结]gaussian计算出错 (1/538) vigaryang 2012-12-27 2012-12-28 01:24:46 by 原来是梦8804
[Gaussian] [已完结]优化苯之后，chk打不开，该怎么办 (6/870) kexue001 2012-12-27 2012-12-27 20:45:45 by lltyy
[Gaussian] Linda 和 BP86 (0/393) gongyiweimu 2012-12-27 2012-12-27 17:10:54 by gongyiweimu
[Gaussian] [已完结]QST3 结果分析 (6/1129) DHY19860208 2012-12-14 2012-12-27 11:08:48 by hdlzy2008
[Gaussian] [已完结]高斯结构优化时的，程序是如何规定最大优化骤 (5/1128) 刘志凌 2012-12-11 2012-12-27 09:35:45 by 春雨飞飞
[Gaussian] 【求助】高斯计算需要温度的反应 (12/4918) dlstella 2011-04-12 2012-12-27 07:48:47 by caoyiyang
[Gaussian] [已完结][关贴]求助Atoms in 1 fragments were given but there should be 2。看哪些资料 (0/884) 萱月琪琪 2012-12-20 2012-12-26 20:40:28 by 萱月琪琪
[Gaussian] [已完结]过渡态 (9/504) cj陈娇 2012-12-26 2012-12-26 17:51:56 by cj陈娇
[Gaussian] [已完结]gaussian 09 IRC 只算了一个点就正常结束了 (7/1470) xylv0929 2012-12-26 2012-12-26 15:39:16 by luosizuo
[Gaussian] [已完结]考虑溶剂化效应PCM对电荷分布的影响，如何设置关键词 (1/416) KLMM 2012-12-24 2012-12-26 14:25:46 by gengle
[Gaussian] [已完结]内坐标固定部分二面角优化，提示Diagonalization in DiagDN failed. (8/2660) kathy2008 2012-12-25 2012-12-26 13:42:20 by kathy2008
[Gaussian] [已完结]混合基组写法 (6/1127) kent1022 2012-12-25 2012-12-26 10:19:00 by kent1022
[Gaussian] [已完结]求助关于审稿人提出B3LYP方法不可靠的问题 (7/1342) Rosk 2012-12-22 2012-12-26 08:45:49 by yanrding
[Gaussian] [已完结]关于两分子间弱相互作用力的结合能的一些疑问 (3/906) wofjg2008 2012-12-21 2012-12-25 16:28:18 by 夏天的娃
[Gaussian] [已完结]求助关于C60的UV-VI吸收光谱计算 (5/1734) lozai 2012-12-22 2012-12-25 09:22:11 by wang_dan1990
[Gaussian] [已完结][关贴]gaussian计算ecd光谱，请帮忙看一下计算为何停止了？ (1/368) danyingrongyue 2012-12-24 2012-12-25 07:53:37 by czyzsu
[Gaussian] [已完结]关于gaussian计算中Polarizability (0/1269) mikesnow 2012-12-24 2012-12-24 19:27:21 by mikesnow
[Gaussian] [已完结]高斯09 BOMD 计算能量守恒差怎么能办？    ( 1 2 ) (19/1406) luosizuo 2012-12-16 2012-12-24 14:04:35 by luosizuo
[Gaussian] 讨论一下bp86方法。 (6/4693) chunhui201 2012-03-26 2012-12-24 10:30:16 by wangf44
[Gaussian] [已完结]自由基反应 (5/534) lei234 2012-12-18 2012-12-24 10:13:42 by lei234
[Gaussian] [已完结]关于计算Mulliken重叠布局数的问题 (2/1078) 食品工艺学 2012-12-19 2012-12-23 22:39:37 by lxhlxh052c
[Gaussian] [已完结]高斯计算时假设分子在什么温度下？ (9/2028) 日光倾城echo 2012-12-21 2012-12-23 22:11:01 by gengle
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