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[热点] AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性 babu2015 2026-02-10 刚刚
[Gaussian] 【求助】自由基反应 (6/1292) hellogod 2010-06-01 2010-06-03 10:54:27 by cysqxr
[Gaussian] 【求助】氧化锌拉曼光谱 (0/798) dahuchang 2010-06-03 2010-06-03 10:34:06 by dahuchang
[Gaussian] 【求助】溶剂化效应 出错 (4/775) sheskybird 2010-06-02 2010-06-03 09:58:04 by cysqxr
[Gaussian] 【求助】反应通道分支比的计算 (3/710) xiubie111 2010-05-26 2010-06-03 09:45:41 by xiubie111
[Gaussian] 【求助】frep=readiso 温度与压强的问题 (0/315) garfield2010 2010-06-02 2010-06-02 17:31:41 by garfield2010
[Gaussian] 【求助】高斯新手 迷茫中    ( 1 2 ) (评阅+2) (10/1805) biaoxuetj 2010-06-01 2010-06-02 16:55:55 by 北京一叶567
[Gaussian] 【求助】[求助]热力学：开窍层弱相互作用体系适用计算方法 (5/745) spring965 2010-05-31 2010-06-02 16:00:54 by spring965
[Gaussian] 【求助】G09IRC计算错误 (0/859) septembersky 2010-06-02 2010-06-02 12:09:51 by septembersky
[Gaussian] 【求助】Oniom方法计算在L402出错 (1/717) rabbit6115 2010-05-26 2010-06-02 11:05:14 by mikesnow
[Gaussian] 【求助】请问CASSCF的频率计算 (0/339) lb1586551 2010-06-02 2010-06-02 10:53:46 by lb1586551
[Gaussian] 【讨论】离子模型势的加入反而使阴离子的极化加大了 (0/211) 芝麻582 2010-06-02 2010-06-02 08:48:04 by 芝麻582
[Gaussian] 【求助】光谱的偏差 (4/747) lihong7lin 2010-05-31 2010-06-01 21:24:49 by sigmax
[Gaussian] 【求助】拟合分子力场参数的程序 (2/911) zyj8119 2010-05-18 2010-06-01 19:59:30 by wangtingyun
[Gaussian] 【讨论】ADF与Gaussian 哪个更适合锕系元素    ( 1 2 ) (10/1140) bluejh 2010-05-29 2010-06-01 16:16:29 by bluejh
[Gaussian] 【求助】算出一小部分结构能得到粉末XRD吗？ (1/254) shaofen 2010-06-01 2010-06-01 12:12:08 by yalefield
[Gaussian] 【求助】怎么用高斯计算ESR？ (5/2068) uuv2010 2010-05-17 2010-06-01 11:32:49 by sjuan
[Gaussian] 【求助】Gaussian这个MCSCF的功能真是不怎么样 (0/148) coolrainbow 2010-06-01 2010-06-01 08:40:48 by coolrainbow
[Gaussian] 【求助】请问gaussian里面的casscf MP2 是否可以等同于CASPT2 (2/640) coolrainbow 2010-05-31 2010-06-01 07:43:51 by coolrainbow
[Gaussian] 【求助】剑桥CHEM 3D 不能生成GAUSSIAN输放文件 (1/386) ahwb 2010-05-31 2010-05-31 21:57:20 by mengfc
[Gaussian] 【求助】G3(MP2)-RAD如何输入关键词 (0/373) 北京一叶567 2010-05-31 2010-05-31 17:24:33 by 北京一叶567
[Gaussian] 【讨论】高对称性的模型怎么建 (1/212) fan159 2010-05-31 2010-05-31 16:55:58 by mengfc
[Gaussian] 【求助】怎么解决自旋污染问题 (2/878) 学员NQWC8z 2010-05-31 2010-05-31 16:42:47 by leijinping7888
[Gaussian] 【求助】关于gaussian的使用权 (3/683) exabyss916 2010-05-31 2010-05-31 12:35:07 by beefly
[Gaussian] 【求助】gaussian中如何改变热力学参数 (6/1152) 314202528 2010-05-16 2010-05-30 10:33:20 by xiubie111
[Gaussian] [关贴]【求助】请问如何在优化分子时加入外电场 (2/570) hjsjs 2010-05-30 2010-05-30 09:14:11 by lb1586551
[Gaussian] 【讨论】菜鸟一问：Ab-initio 与 DFT的区别？ (5/1889) il701 2010-05-27 2010-05-29 23:38:59 by sobereva
[Gaussian] 【求助】请教如何写命令来计算特定反应温度下的反应自由能改变的问题 (3/789) 0501050304 2010-05-29 2010-05-29 23:25:18 by zhangmt
[Gaussian] 【求助】求Gaussian (4/448) zhangsw 2010-05-29 2010-05-29 21:26:51 by LuPeng5366
[Gaussian] 【求助】g03C02版本只能用4个CPU？    ( 1 2 ) (17/834) oldelf 2010-05-23 2010-05-29 14:25:07 by c00jsw00
[Gaussian] 【求助】oniom怎样算溶剂效应 (3/624) sophia_999 2010-03-25 2010-05-29 10:46:45 by lsz3576
[Gaussian] 【求助】数值计算和解析计算有什么不同 (3/902) purewater2715 2010-05-25 2010-05-29 10:41:07 by lsz3576
[Gaussian] 【求助】高斯09混合机组输入与03有何不同 (1/740) shenhaige 2010-05-28 2010-05-28 23:59:34 by springxa
[Gaussian] 【求助】赝势算分子的能量 (0/225) forestwolf9291 2010-05-28 2010-05-28 18:28:46 by forestwolf9291
[Gaussian] 【求助】碳正性或者活性问题 (0/188) ahwb 2010-05-28 2010-05-28 17:15:25 by ahwb
[Gaussian] 【求助】消虚频 (4/1028) feiyang1210 2010-05-26 2010-05-28 15:33:58 by 虚谦
[Gaussian] 【求助】含有碘原子抑制剂的量化计算 (3/476) Ben9908 2010-05-26 2010-05-28 12:04:48 by forestwolf9291
[Gaussian] 【求助】势能面扫描时出现Logic error in SftOpn错误 (0/334) xzxueren 2010-05-28 2010-05-28 11:07:27 by xzxueren
[Gaussian] 【讨论】分子能量 (6/622) 我思固我在 2010-05-27 2010-05-28 10:51:51 by mengfc
[Gaussian] 【求助】分子势能面扫描 (3/1032) 我思固我在 2010-05-27 2010-05-28 04:29:27 by fooo
[Gaussian] 【讨论】只算一个检验电子态本质的频率——节省时间 (1/275) lihb734 2010-05-27 2010-05-27 17:49:06 by coolrainbow
[Gaussian] 【求助】SDB-aug-cc-pVTZ 或SDB-cc-pVTZ 基组如何输入？ (1/488) wanlaifengji 2010-05-27 2010-05-27 12:48:27 by yjcmwgk
[Gaussian] 【求助】指前因子 (1/1088) astringent 2010-05-26 2010-05-27 01:34:20 by recoli
[Gaussian] 【求助】gaussian03 的“NtrErr Called from FileIO.”问题 (8/2442) googo66 2010-05-26 2010-05-26 22:12:48 by googo66
[Gaussian] 【求助】Gaussian能计算分子的表面积吗，怎样加关键词 (2/422) 15200505003 2010-05-25 2010-05-26 20:19:59 by huangry2006
[Gaussian] 【求助】计算频率输出结果的对称性为什么全部一样？ (0/263) yangqianliu 2010-05-26 2010-05-26 19:50:01 by yangqianliu
[Gaussian] 【求助】高斯09的内存控制方式是不是得到改进了？ (9/1913) yjcmwgk 2010-05-25 2010-05-26 18:43:58 by hairan
[Gaussian] 【求助】计算离解能需要考虑碎片优化和多重度么？谢谢    ( 1 2 ) (10/1051) Miracle922 2010-05-25 2010-05-26 13:43:34 by 3867826
[Gaussian] 【求助】频率计算报错 (2/293) 569480531 2010-05-25 2010-05-26 09:36:11 by 569480531
[Gaussian] 【求助】提取势能面上点的坐标 (3/623) tjuZidan 2010-05-25 2010-05-25 21:30:53 by kekexiliwolf
[Gaussian] 【求助】Gaussian03关键字问题 (1/292) googo66 2010-05-25 2010-05-25 21:23:40 by erylingjet
[Gaussian] 【求助】opt,freq计算结果异常 (4/663) gaoyp0114 2010-05-24 2010-05-25 20:02:11 by hairan
[Gaussian] 【求助】请教，能用TDDFT优化激发态的结构吗？g03 (4/509) rabbit6115 2010-05-24 2010-05-25 16:24:27 by yling10
[Gaussian] 【讨论】激发态优化出错，高手帮忙看看吧 (2/336) chenxiankai 2010-05-24 2010-05-25 10:10:04 by lihb734
[Gaussian] 【求助】优化过程中结构中的两个原子为什么越跑越近，直至相接    ( 1 2 3 ) (25/2110) victoria7850 2010-05-23 2010-05-25 09:20:55 by victoria7850
[Gaussian] 【调查】请列举一些做量化的牛人及工作单位 (7/856) tangbaowei 2010-05-24 2010-05-25 07:46:30 by tangbaowei
[Gaussian] 【求助】请教个版权的问题    ( 1 2 ) (10/1733) aioria 2010-05-24 2010-05-24 22:33:16 by kekexiliwolf
[Gaussian] 【求助】如何显示HOMO轨道    ( 1 2 ) (17/968) 风干了 2010-05-20 2010-05-24 19:36:07 by 风雪江山乱
[Gaussian] 【求助】什么是固体效应？ (0/207) bingyi3 2010-05-24 2010-05-24 18:37:00 by bingyi3
[Gaussian] 【讨论】TDDFT输出的结果有点怪 (2/355) lihb734 2010-05-24 2010-05-24 16:31:42 by lihb734
[Gaussian] [关贴]【求助】高斯b3lyp/VDZ的输入文件写法    ( 1 2 ) (14/1640) tandz 2010-05-22 2010-05-24 13:12:30 by tandz
[Gaussian] 【求助】求助高斯中的Wachters-Hay基组 (5/934) lihb734 2010-05-23 2010-05-24 03:38:12 by fooo
[Gaussian] 【求助】chk out (5/712) sunhaitao 2010-05-22 2010-05-23 15:15:02 by gyli
[Gaussian] 【求助】chk文件 (9/1933) dahuchang 2010-05-04 2010-05-22 19:41:29 by vigaryang
[Gaussian] 【求助】求助高手一个做过渡态输入文件的问题 (6/1141) logsh 2010-05-19 2010-05-22 19:04:02 by logsh
[Gaussian] 【求助成功】这结构是同一构型嘛 (8/692) liuxianlv 2010-05-20 2010-05-22 10:09:54 by lishuai2006
[Gaussian] 【求助】gaussian溶剂光谱出现虚频太高 (0/277) zhanping 2010-05-21 2010-05-21 22:18:08 by zhanping
[Gaussian] 【求助】高斯03 断后设置，急需，求助。 (2/317) out_go_ 2010-05-21 2010-05-21 15:46:24 by kekexiliwolf
[Gaussian] 【求助】关于NBO (6/710) 风干了 2010-05-18 2010-05-21 11:10:57 by 5229751
[Gaussian] 【讨论】求助 (金币≥3)(0/57) 大水牛3377 2010-05-21 2010-05-21 11:02:04 by 大水牛3377
[Gaussian] 【讨论】Gaussian能预测分子的溶解性变化吗？ (3/401) lywlion 2010-05-20 2010-05-21 10:54:38 by linzhongaiguo
[Gaussian] 【求助】高斯算锕系元素如何选基组 (4/1198) bluejh 2010-05-20 2010-05-21 10:37:33 by bluejh
[Gaussian] 【求助】外加电场的计算 (1/808) yumu0411 2010-05-20 2010-05-21 10:34:47 by erylingjet
[Gaussian] 【求助】我的这个内坐标怎么没有原子序数 (5/1183) Hansongtao 2010-05-20 2010-05-21 09:40:33 by LuPeng5366
[Gaussian] 【求助】各位大哥大姐帮我看一下构型正确吗 (3/408) liuxianlv 2010-05-20 2010-05-21 08:31:08 by kekexiliwolf
[Gaussian] 【求助】求助赝势基组的问题 (3/1075) aaacjj 2010-05-16 2010-05-20 21:15:41 by rt3454l
[Gaussian] 【求助】有用过 freq=internal 关键词计算频率的么？ (8/1024) 小虫迷 2010-05-19 2010-05-20 20:27:32 by LuPeng5366
[Gaussian] 【求助】如何用gaussian算分子偶极矩 (6/3055) zhanping 2010-05-06 2010-05-20 19:53:41 by Miracle922
[Gaussian] 请删帖 (1/210) hfdaiyun 2010-05-20 2010-05-20 15:46:24 by hfdaiyun
[Gaussian] 【求助】MP2单点算出错 (6/860) caoyiyang 2010-05-14 2010-05-20 10:35:10 by caoyiyang
[Gaussian] 【求助】计算时间 (2/479) ww1987 2010-05-20 2010-05-20 09:06:11 by erylingjet
[Gaussian] 【求助】如何用GaussView画比较复杂的小分子结构    ( 1 2 ) (11/5736) wjlouc 2010-05-19 2010-05-19 21:50:18 by liuzhengjun0427
[Gaussian] 【求助】后HF方法如何得到分子轨道系数 (1/895) hcwu 2010-05-19 2010-05-19 21:49:08 by coolrainbow
[Gaussian] 【求助】一个简单的gap计算问题 (9/3908) csfn 2009-09-14 2010-05-19 21:42:05 by sunhaitao
[Gaussian] 【求助】谁有Gaussian 09W吗？ (3/1287) yjshjb 2010-05-19 2010-05-19 21:00:10 by qida
[Gaussian] 【求助】charge transfer的定义 (4/649) 雨后晴天 2010-05-16 2010-05-19 19:21:20 by sunhaitao
[Gaussian] 【求助】做IRC出错 (5/920) LuPeng5366 2010-05-18 2010-05-19 17:22:45 by LuPeng5366
[Gaussian] 【求助】请教各位大侠关于冻结原子坐标的格式 (0/514) songk1125 2010-05-19 2010-05-19 16:53:40 by songk1125
[Gaussian] 【求助】关于UGBS和ANO-RCC用在DKH计算的精度 (6/1173) exabyss916 2010-05-17 2010-05-19 14:30:51 by exabyss916
[Gaussian] 【讨论】gaussview 计算出错 1101.exe (3/1119) pfsz 2010-05-18 2010-05-19 13:38:31 by pfsz
[Gaussian] 【讨论】求教关于共振能量转移的小问题 (0/320) kewei09 2010-05-19 2010-05-19 09:26:11 by kewei09
[Gaussian] 【讨论】求助，TD-DFT计算时体系的激发波长非常大 (9/785) faqianliu 2010-05-14 2010-05-18 18:37:11 by gjin101
[Gaussian] 【讨论】溶剂化效应 (0/574) TaoB 2010-05-18 2010-05-18 17:47:09 by TaoB
[Gaussian] 【求助】关于DKH相对论修正 (3/416) exabyss916 2010-05-18 2010-05-18 14:49:50 by exabyss916
[Gaussian] 【求助】scf 优化    ( 1 2 ) (10/907) 小鱼儿1703 2010-05-15 2010-05-18 11:40:30 by 小鱼儿1703
[Gaussian] 【讨论】大家能否讨论下收缩高斯函数中“收缩”的意思 (0/826) tiancj 2010-05-18 2010-05-18 10:31:26 by tiancj
[Gaussian] 【求助】关于GaussSum图的设置问题（急哈） (4/686) 新世纪 2010-05-17 2010-05-18 08:29:13 by kekexiliwolf
[Gaussian] 【求助】关于gaussian计算的问题 (8/1659) qiwei505 2010-05-06 2010-05-18 01:11:13 by xjyuefan
[Gaussian] 【求助】输入问题    ( 1 2 ) (11/644) 风干了 2010-05-14 2010-05-17 15:27:06 by 风干了
[Gaussian] 【求助】用完全态求和（SOS）法算二阶超极化率和双光子吸收截面的问题！ (0/781) xtdut 2010-05-17 2010-05-17 13:54:34 by xtdut
[Gaussian] 【求助】高斯CASSCF的mannual和方法 (1/696) 学员NQWC8z 2010-05-17 2010-05-17 11:25:11 by lb1586551
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