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[热点] 2024 - Redox‐Active Ligands asymmsyn 2026-02-07 刚刚
[Gaussian] [已完结]gaussian view 优化 (0/675) 小小君子 2013-07-18 2013-07-19 09:57:25 by 小小君子
[Gaussian] [已完结]计算带电荷的大分子，老出错！ (2/453) 淡水浮萍 2013-07-18 2013-07-19 09:15:01 by 淡水浮萍
[Gaussian] [已完结]gaussian view3.0    ( 1 2 ) (14/1546) 小小君子 2013-07-15 2013-07-18 06:57:16 by qchem
[Gaussian] first-order wetting transition (1/378) bingmeng1987 2013-07-16 2013-07-18 01:57:02 by agent99
[Gaussian] [已完结]电荷与自旋多重度的问题 (5/2840) 淡水浮萍 2013-07-15 2013-07-16 14:21:35 by marson
[Gaussian] [已完结]gaussian优化结构时点群变化 (2/1343) 殷耀鹏 2013-07-13 2013-07-16 09:01:03 by yanrding
[Gaussian] [已完结]关于热力学能的定义 (1/1645) t13340033021 2013-07-14 2013-07-16 05:54:18 by zhangmt
[Gaussian] 请教各位高手，用高斯算加电场的是否很准？还有在多大的电场作用下才算是微拢？ (7/1655) wazhutao 2012-07-04 2013-07-15 07:41:08 by wazhutao
[Gaussian] [已完结]高斯 非局域基组 (1/367) xxjiang 2013-07-09 2013-07-13 14:43:45 by anmin0127
[Gaussian] [已完结]高斯优化 (3/573) 殷耀鹏 2013-07-02 2013-07-13 11:57:51 by sculhf
[Gaussian] [已完结]linux系统G03计算中断后继续计算的方法 (0/447) luckone2013 2013-07-13 2013-07-13 00:56:47 by luckone2013
[Gaussian] [已完结]优化激发态的有关问题 (1/939) oleds-sdu 2013-07-12 2013-07-12 20:03:15 by zhficcas
[Gaussian] [已完结]分子直径和分子动力学直径的区别 (1/1855) 海的声音12 2013-07-11 2013-07-12 13:38:34 by 磊zhangl
[Gaussian] [已完结][关贴]氢键催化双分子Diels-Alder反应，应选用哪种基组和方法？    ( 1 2 ) (11/1473) schalke 2013-07-09 2013-07-12 11:41:26 by schalke
[Gaussian] [已完结]Fukui函数的计算 (5/2858) zhuzunwei 2013-07-11 2013-07-12 09:35:23 by 375642546
[Gaussian] [已完结]Gaussian 热化学计算 问题请教 (8/2133) cquccc 2013-07-11 2013-07-12 08:49:47 by cquccc
[Gaussian] [已完结]Gaussian 03优化结构    ( 1 2 ) (12/2839) yoyo103108 2013-05-22 2013-07-11 21:35:18 by 568286346
[Gaussian] [已完结]高斯求助    ( 1 2 ) (14/959) liushuang16 2013-05-09 2013-07-11 13:04:09 by marson
[Gaussian] [已完结]求助专门做电荷分布计算的文章 (0/184) mosquito2011 2013-07-11 2013-07-11 09:42:16 by mosquito2011
[Gaussian] [已完结]怎么用Gaussian来计算一个物质存在的可能性？ (1/305) Trevor1983 2013-07-08 2013-07-11 09:18:20 by marson
[Gaussian] 【讨论】过渡态能量问题 (9/1395) 3867826 2010-05-10 2013-07-11 06:13:30 by marson
[Gaussian] [已完结]反应速率 计算软件的可信度 (4/1610) dingniu2 2012-06-10 2013-07-10 14:05:02 by Tracyxi
[Gaussian] [已完结]纠错 基组 (3/623) 陌上小筑 2013-07-09 2013-07-10 09:36:28 by 陌上小筑
[Gaussian] [已完结]关于BSSE的小问题。 (1/397) 半截烟洋洋 2013-07-09 2013-07-09 17:45:33 by t13340033021
[Gaussian] [已完结]谁有这篇文献啊？急用 (3/612) 忧伤的小猪 2013-07-09 2013-07-09 17:20:24 by 568286346
[Gaussian] [已完结]请问LVHF是什么？怎么找？ (2/565) binhaigufan 2013-07-08 2013-07-09 14:44:40 by binhaigufan
[Gaussian] [已完结]gaussian中ONIOM计算 (1/1153) astringent 2011-10-17 2013-07-09 13:09:22 by 陈闹钟
[Gaussian] [已完结]请教gaussian计算化学反应的问题 (2/2223) Gwax07 2013-05-08 2013-07-09 08:17:28 by Tracyxi
[Gaussian] linux下运行gaussian输出文件内容出错 Entering Gaussian System,，， (7/1763) traoxin 2013-07-04 2013-07-08 14:27:18 by marson
[Gaussian] [已完结][关贴]不进行optimize就直接报错收敛失败，求解决    ( 1 2 3 ) (20/2770) LinaInverse 2013-07-04 2013-07-08 00:53:05 by LinaInverse
[Gaussian] 关于高斯热力学数据中的△Ht (7/1526) 111222000 2012-07-12 2013-07-06 06:37:12 by 156128305
[Gaussian] [已完结][关贴]把 GAUSSIAN 从A02 换到了 B01 结果GV出问题了 (0/260) t13340033021 2013-07-03 2013-07-05 22:07:54 by t13340033021
[Gaussian] [已完结][关贴]导出gaussian 优化结果 (0/265) tcclab 2013-07-02 2013-07-05 15:32:58 by tcclab
[Gaussian] [已完结]请教如何将opt时每步的能量图形化显示出来 (1/724) alexwpch 2013-07-05 2013-07-05 10:25:26 by syhu_007012
[Gaussian] 【求助】关于用G09算溶剂化能的问题    ( 1 2 ) (17/2517) 布丁3835 2009-10-15 2013-07-05 07:08:56 by lishijunzong
[Gaussian] [已完结]求助：计算Franck-Condon因子的源代码及其他方法 (1/589) suosuosky 2013-07-03 2013-07-03 17:11:49 by 李涵一
[Gaussian] [已完结]求结构优化结果 (2/268) 乍遐乍迩 2013-07-03 2013-07-03 15:01:08 by t13340033021
[Gaussian] [已完结]高斯极化率求解 (1/1493) lingzg2007 2013-06-22 2013-07-02 23:32:56 by ahuhu
[Gaussian] [已完结]优化总结，有木有？ (0/143) 小窗夜梦 2013-07-02 2013-07-02 20:47:21 by 小窗夜梦
[Gaussian] [已完结]Gaussian 出错，算ts不迭代，直接l9999错误！ (1/773) gengle 2013-07-02 2013-07-02 20:37:37 by zhangmt
[Gaussian] [已完结]急！！HOMO轨道能级计算 (3/771) xiaozufeng 2013-07-02 2013-07-02 19:32:28 by 南飞探
[Gaussian] [已完结]本人新手计算晶体a-Fe2O3出错l302.exe (4/899) 峰回路转1 2013-05-11 2013-07-02 15:43:37 by 峰回路转1
[Gaussian] [已完结]请教关于 UV光谱输入文件的 关键词 (1/614) zc311213 2013-06-26 2013-07-01 17:16:43 by 喻儿在线
[Gaussian] [已完结]用高斯计算液相和固体表面红外和拉曼 (1/400) tcya 2013-06-25 2013-07-01 12:52:40 by tcya
[Gaussian] [已完结]求助CD光谱计算 (7/1928) 吉米小子 2011-11-14 2013-07-01 12:06:16 by tai3936
[Gaussian] [已完结]UM05-2X/def2-SVP (1/1496) mingy 2013-06-25 2013-07-01 10:54:12 by sobereva
[Gaussian] [已完结]求高斯03linux64位软件，谢谢大家 (1/415) liulu19890608 2013-06-25 2013-07-01 10:28:41 by 568286346
[Gaussian] 设计的等键反应，大家看看哪个合理 (0/1147) 111222000 2013-06-24 2013-07-01 09:29:52 by 111222000
[Gaussian] [已完结]求linux 高斯09的软件 (0/348) bambi99 2013-06-25 2013-07-01 09:28:58 by bambi99
[Gaussian] [已完结]求指教，CP校正的出现错误怎么解决？ (0/584) jiephoebe 2013-06-26 2013-07-01 08:31:36 by jiephoebe
[Gaussian] [已完结]反应能垒 (6/1449) huilaoshu999 2013-06-30 2013-06-30 15:54:05 by t13340033021
[Gaussian] [已完结]求助g03-E01-64bit_for_linux.gz下载，坛子里115网盘无法下载 (1/475) schalke 2013-06-27 2013-06-29 19:45:29 by 568286346
[Gaussian] [已完结]MP2与B3LYP计算的过渡态的虚频比较 (1/596) wang.zhou 2013-06-28 2013-06-29 13:22:10 by 568286346
[Gaussian] [已完结]用modredundant限定原子距离错误 (7/1157) mcv 2013-06-27 2013-06-28 15:05:18 by mcv
[Gaussian] [已完结]高斯计算.chk文件出错 (9/2305) 小樊子 2013-06-25 2013-06-28 12:37:10 by 小樊子
[Gaussian] [已完结]为何用TD-DFT算出的UV谱的吸收波长出现负值？ (1/573) ter20 2013-06-28 2013-06-28 12:25:58 by yanrding
[Gaussian] [已完结]请问极化率（Polarizability）的大小能解释什么物理意义？    ( 1 2 ) (15/7834) LuPeng5366 2011-04-19 2013-06-27 13:29:27 by wang_h
[Gaussian] [已完结]请教G03w和G09w内存设置计算出错问题，谢谢！ (3/784) sydtyx 2013-06-26 2013-06-27 09:11:33 by stalart
[Gaussian] [已完结]Gaussian输入文件含义 (4/2448) 落花飞雪 2013-06-21 2013-06-26 21:18:04 by yypcnbe
[Gaussian] [已完结]高斯中的分子轨道MO，NBO计算，以及电子云密度，电子云密度差计算的一些疑问 (6/7757) zheyi-1984 2013-06-25 2013-06-26 16:04:47 by sobereva
[Gaussian] [已完结]如何判断分子因共轭产生的稳定性 (3/2467) thelight 2013-06-17 2013-06-26 10:41:54 by thelight
[Gaussian] [已完结]alter改变轨道电子密度分布问题 (1/475) lixiaona158 2013-06-25 2013-06-26 09:37:29 by lixiaona158
[Gaussian] [已完结]Gaussian优化问题 (3/418) 担担面cqnu 2013-06-24 2013-06-26 08:11:31 by stalart
[Gaussian] [已完结]模拟计算紫外光谱时,审稿人的关于温度的问题,我问一下.    ( 1 2 ) (13/1575) zhficcas 2012-11-06 2013-06-26 07:38:33 by zc311213
[Gaussian] [已完结]高斯计算中金属离子与氯苯的相互作用结构优化错误    ( 1 2 ) (17/2568) alexwpch 2012-06-11 2013-06-25 21:18:41 by 大雪微蓝
[Gaussian] [已完结]谁能帮我计算一个分子的NMR啊 谢谢 (2/427) celine蔡 2013-06-25 2013-06-25 16:28:25 by celine蔡
[Gaussian] [已完结]在计算过渡态时出现了Opt=TS requires force constants or ModRedundant. (2/4604) traoxin 2013-06-19 2013-06-25 15:32:12 by traoxin
[Gaussian] [已完结]QM/MM计算金属蛋白时，Gaussview无法读入与金属相连氨基酸的amber力场参数。 (6/995) hee_csu 2013-06-18 2013-06-25 15:25:17 by hee_csu
[Gaussian] 光谱计算中的交换轨道问题 (1/464) sujialing 2013-05-22 2013-06-25 11:47:12 by lixiaona158
[Gaussian] [已完结]求助如何研究团簇稳定性 (3/566) 0502114073 2013-06-06 2013-06-25 09:17:01 by t13340033021
[Gaussian] [已完结]【请教】HF和Becke交换势物理意义的区别 (0/349) forestwolf9291 2013-06-25 2013-06-25 08:09:01 by forestwolf9291
[Gaussian] [已完结]过渡态 (0/283) 568286346 2013-06-24 2013-06-24 22:05:32 by 568286346
[Gaussian] [已完结]反应机理 (1/368) weilikang 2013-06-24 2013-06-24 14:48:12 by stalart
[Gaussian] [已完结][关贴]收敛问题 (3/586) huilaoshu999 2013-06-24 2013-06-24 08:58:57 by huilaoshu999
[Gaussian] [已完结][关贴]有用高斯计算光敏性的吗？ (0/197) zyr3365754 2013-06-23 2013-06-23 12:41:14 by zyr3365754
[Gaussian] [已完结][关贴]求Gaussian03-E01-Linux版64位/32位各一份 (0/401) yyx288 2013-06-23 2013-06-23 12:18:25 by yyx288
[Gaussian] [已完结]求教一个问题 (1/314) 世如心界 2013-06-22 2013-06-23 10:52:11 by 568286346
[Gaussian] [已完结]判断两反应哪个易发生 (4/874) 119243775 2013-06-21 2013-06-23 08:51:41 by pyh4024
[Gaussian] [已完结][关贴]高斯计算文件存储问题 (7/1384) anmin0127 2013-06-22 2013-06-23 02:02:41 by anmin0127
[Gaussian] DSSC染料敏化太阳能电池 关于吸收范围的理解 (26/2084) 醒目苹果倪1707 2012-12-04 2013-06-22 22:05:04 by Dsnow1016
[Gaussian] [已完结]关于染料太阳能电池 (1/304) chiweijie 2013-06-22 2013-06-22 16:24:25 by stalart
[Gaussian] [已完结]麻烦帮我看看这个化合物的多重度和电荷--迷糊啊 (3/602) swfctheochem 2013-06-19 2013-06-22 11:11:14 by kris4691
[Gaussian] [已完结]cis 激发态输出文件怎么看激发态的能量和电荷分布？ (0/599) 王小抠儿 2013-06-13 2013-06-22 09:27:28 by 王小抠儿
[Gaussian] [已完结]OVGF和ROVGF有什么区别？ (0/620) B612 2013-06-18 2013-06-22 09:26:14 by B612
[Gaussian] [已完结]Au用的是什么基组？求解释 (0/630) 小窗夜梦 2013-06-14 2013-06-22 08:23:11 by 小窗夜梦
[Gaussian] [已完结]求助gaussian计算激发态输出文件的分析。小白求指教 (0/463) 王小抠儿 2013-06-16 2013-06-22 08:21:57 by 王小抠儿
[Gaussian] [已完结]qst3过渡态计算错误 (0/580) methane1 2013-06-15 2013-06-22 08:21:12 by methane1
[Gaussian] [已完结]高斯求助 (0/450) zjx187 2013-06-19 2013-06-22 08:18:57 by zjx187
[Gaussian] [已完结]正逆反应的过渡态 (2/665) zhoulm338 2013-06-20 2013-06-21 22:00:31 by yanrding
[Gaussian] 内部坐标出问题    ( 1 2 ) (10/1436) luckone2013 2013-05-26 2013-06-21 16:04:38 by oyljw
[Gaussian] [已完结]急急!!!!偶极矩问题 (3/1026) YoYo4422 2013-06-20 2013-06-21 13:26:00 by sobereva
[Gaussian] [已完结]高斯计算出来的UV紫外光谱分析 (6/4504) celine蔡 2013-06-13 2013-06-21 09:06:14 by kris4691
[Gaussian] [已完结]CCSD(T)计算方法 计算时需注意什么问题？ (5/2859) 小窗夜梦 2013-06-17 2013-06-21 09:04:19 by kris4691
[Gaussian] [已完结]计算自旋轨道耦合常数的指令 (1/827) xuzhubing 2013-06-13 2013-06-20 19:04:23 by chenys
[Gaussian] [已完结]二聚物离子用高斯计算的问题 (1/334) yeliya201 2013-06-19 2013-06-20 17:06:34 by chenys
[Gaussian] [已完结]Gaussian加电场SCF不收敛 (9/2070) 798879443 2013-06-16 2013-06-20 10:28:32 by 798879443
[Gaussian] [已完结]Gaussian输出文件中键长和Gaussian View中键长不一样是什么原因？ (7/2144) zhouwohua 2013-01-17 2013-06-20 07:52:44 by 青春痘
[Gaussian] [已完结][关贴]高斯自定义溶剂参数问题 (1/1704) wbn 2013-06-18 2013-06-19 22:55:59 by wbn
[Gaussian] [已完结]MP2 还是CCSD(T)，B3LYP？ (4/2351) 小窗夜梦 2013-06-18 2013-06-19 21:20:20 by 小窗夜梦
[Gaussian] [已完结]下面两句话咋翻译呀，尤其the tenth and the 100-th啥意思 (2/326) brilliant 2013-06-19 2013-06-19 19:30:29 by brilliant
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