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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】化学键的断裂能 (5/1288) wandong_1984 2010-08-31 2010-09-06 11:37:52 by manson1998
[Gaussian] 【求助】gaussian 输入 (6/1361) chuchu6816 2010-08-31 2010-09-06 11:33:06 by manson1998
[Gaussian] 【求助】Gaussian频率计算输出中部分内容如何解释？ (评阅+5) (1/435) zzti314 2010-09-05 2010-09-06 01:42:30 by pdce218
[Gaussian] 【求助】请问在Gaussian09中如何加入RM1方法？ (0/161) zhengpc3505 2010-09-06 2010-09-06 00:19:01 by zhengpc3505
[Gaussian] 【求助】求助：G03W l301问题 (1/632) chenfeng2007 2010-09-04 2010-09-04 12:42:43 by abbott
[Gaussian] 【求助】以前没见到过的Gaussian错误？？ (4/892) erylingjet 2010-09-04 2010-09-04 11:26:49 by coolrainbow
[Gaussian] 【讨论】用gaussian DFT计算出的Raman activity 是不是就是实验中的intensity? (3/1178) 小虫迷 2010-09-01 2010-09-04 07:28:26 by lsgan
[Gaussian] 【求助】服务器linux安装问题！ (7/951) hedge 2010-09-03 2010-09-04 02:00:42 by calfwoo
[Gaussian] 【求助】审稿人意见不明白 (5/592) lsgan 2010-09-01 2010-09-02 21:23:34 by lsgan
[Gaussian] 【求助】结构模拟与计算 (6/817) 天下枫叶 2010-08-27 2010-09-02 18:17:08 by 天下枫叶
[Gaussian] 【求助】CAS计算过渡态 (0/287) tuzi198711 2010-09-02 2010-09-02 16:24:36 by tuzi198711
[Gaussian] 【求助】机组问题 (评阅+5) (1/342) 3867826 2010-09-02 2010-09-02 10:28:56 by lihb734
[Gaussian] 【求助】Vertical electron affinity(VEA) 怎么算？ (3/890) LuPeng5366 2010-09-01 2010-09-02 09:55:55 by erylingjet
[Gaussian] 【求助】过程 扫描！！ (3/348) 3867826 2010-09-01 2010-09-01 20:19:41 by fish_tank
[Gaussian] 【求助】gaussian和turbomole的dft有什么不同吗？ (6/1071) domilar 2010-08-31 2010-09-01 20:17:31 by domilar
[Gaussian] 【求助】实验文献求助 (2/275) sunjz 2010-09-01 2010-09-01 18:19:38 by sunjz
[Gaussian] 【讨论】关于高斯09验证虚頻的Integral grid (2/974) xiuhui 2010-09-01 2010-09-01 16:56:42 by sobereva
[Gaussian] 【其他】关于盗版Gaussian的问题~~ (7/1939) yeliya201 2010-08-30 2010-09-01 16:25:38 by yeliya201
[Gaussian] 【求助】oniom和NBO中断后能否继续算 (0/197) huying15 2010-09-01 2010-09-01 12:01:08 by huying15
[Gaussian] 【求助】过渡态轨道的表达 (0/180) 313588908 2010-09-01 2010-09-01 11:13:59 by 313588908
[Gaussian] 【讨论】50个原子的化合物，若是用gaussian03单机运算，需要的电脑配置应多大，只能服 (6/1818) cxc521 2010-08-30 2010-09-01 08:05:17 by x7511413
[Gaussian] 【求助】高斯09的使用说明书在哪里找？ (3/752) yangqianliu 2010-08-31 2010-08-31 21:43:59 by lihb734
[Gaussian] 【求助】用高斯算ESR或超精细耦合常数 (4/1416) kgwang112 2010-08-29 2010-08-31 09:52:32 by kgwang112
[Gaussian] 【讨论】为什么不同chk文件得到的HOMO等轨道图形不同? (6/484) 奔鲨 2010-08-30 2010-08-31 08:31:01 by yjcmwgk
[Gaussian] 【求助】请问如何利用Guassian计算离子化合物的最佳构型啊？ (5/1458) riodiego 2010-08-25 2010-08-31 08:24:14 by yjcmwgk
[Gaussian] 【求助】有Gaussian 09 Rev A.02分享吗 (2/496) gromacs 2010-08-30 2010-08-30 20:25:16 by ddv
[Gaussian] 【求助】氢键优化出错！ (2/488) 明发2009 2010-08-30 2010-08-30 13:58:12 by zhangmt
[Gaussian] 【求助】帮忙看看这是什么报错 (3/510) qwerasdf2783 2010-08-30 2010-08-30 10:45:48 by qwerasdf2783
[Gaussian] 【讨论】直接进行频率计算有意义吗？ (评阅+2) (9/1921) tiancj 2010-05-26 2010-08-30 10:44:17 by tiancj
[Gaussian] 【理论】MRCI外部轨道个数是如何确定的？ (2/365) fkingdeath 2010-08-28 2010-08-30 10:39:55 by erylingjet
[Gaussian] 【求助】门外汉问一个问题，送金币。 (3/510) jngy2001 2010-08-15 2010-08-29 10:51:26 by yalefield
[Gaussian] 【求助】溶剂中tsare的设置和能量问题 (0/205) 569480531 2010-08-28 2010-08-28 20:20:09 by 569480531
[Gaussian] 【求助】怎樣選取basis sets??有金屬和沒有金屬選擇不同嗎? (1/252) staphlee 2010-08-27 2010-08-28 16:15:51 by wxb711320
[Gaussian] 【求助】关于路径的写法 (7/1490) caozf 2010-08-27 2010-08-27 20:59:34 by zhangmt
[Gaussian] 【求助】Gaussview怎么修改二面角 (1/1981) biaoxue 2010-08-27 2010-08-27 19:40:15 by tjuZidan
[Gaussian] 【求助成功】g09内存利用率小的问题！（有奖） (9/1415) shuo2008 2010-08-24 2010-08-27 12:18:15 by zhanping
[Gaussian] 【求助】这是怎么回事啊    ( 1 2 ) (10/503) 天下枫叶 2010-08-26 2010-08-27 11:19:58 by 天下枫叶
[Gaussian] 【调查】有奖竞答：这个计算你大概用多长时间完成？    ( 1 2 ) (15/985) zhongcm 2010-08-24 2010-08-27 01:00:54 by tiechong
[Gaussian] 【求助】为什么用Gaussian View得到的input文件里的分子坐标总是直角坐标 求助完成 (1/493) zhongcm 2010-08-26 2010-08-26 21:59:12 by fkingdeath
[Gaussian] 【求助】UO2+优化报错 (2/300) bluejh 2010-08-26 2010-08-26 17:23:42 by bluejh
[Gaussian] 【经验】小卒的悲剧，写出来，也算前车之鉴    ( 1 2 3 ) (评阅+3) (28/2007) yjcmwgk 2010-06-22 2010-08-26 15:03:11 by xcyqyz5233
[Gaussian] 【讨论】如果买了G09w，但实际用盗版的linux 版的G09 作计算发文章可以吗？ (5/1702) zhongcm 2010-08-25 2010-08-26 14:01:55 by lb1586551
[Gaussian] 【求助】在Gaussian中使用Amber 力场方法 (0/1640) z5476t4508 2010-08-26 2010-08-26 13:50:45 by z5476t4508
[Gaussian] 【求助】oniom计算问题 (0/276) huying15 2010-08-25 2010-08-25 20:36:54 by huying15
[Gaussian] 【讨论】有没有g03版本的介绍啊？ (0/183) shuo2008 2010-08-25 2010-08-25 20:17:31 by shuo2008
[Gaussian] 【求助】做基态优化时的浅阱有可能是激发态的吗？ (6/1078) domilar 2010-08-23 2010-08-25 15:06:03 by domilar
[Gaussian] 【转载】G09更新到B01了 (评阅+1) (5/748) Jasminer 2010-08-24 2010-08-25 14:05:57 by quantumor
[Gaussian] [关贴]【讨论】含Ni，Pd和Pt的分子用什么泛函比较好 (7/1450) hairan 2010-08-15 2010-08-25 10:17:27 by meteoric30
[Gaussian] 【求助】 问题已解决，请版主把我这个帖子删了吧， (0/221) xcyqyz5233 2010-08-25 2010-08-25 09:54:34 by xcyqyz5233
[Gaussian] 【求助】关于高斯部分优化 (3/785) DYZ2009 2010-08-24 2010-08-25 09:33:10 by DYZ2009
[Gaussian] 【求助】B3LYP/6-31G(d)计算出错 (5/635) huying15 2010-08-23 2010-08-24 19:47:00 by huying15
[Gaussian] 【求助】关于频率计算中Warning的校正    ( 1 2 ) (11/1043) tjuZidan 2010-08-20 2010-08-24 14:05:23 by lb1586551
[Gaussian] 【求助】DFT里的exchange和correlation有啥区别 (0/518) tiechong 2010-08-24 2010-08-24 01:46:44 by tiechong
[Gaussian] 【讨论】谁能介绍一下gaussian版本的版权情况 (1/1271) forestwolf9291 2010-08-22 2010-08-23 18:07:32 by lb1586551
[Gaussian] 【求助】calcfc对qst2的影响？ (1/324) 奔鲨 2010-08-23 2010-08-23 18:04:07 by lb1586551
[Gaussian] 【求助】关于主反应通道 (3/536) liuqun 2010-08-20 2010-08-23 18:01:58 by lb1586551
[Gaussian] 【求助】高斯结构优化结果的坐标精度问题 (1/861) zhongcm 2010-08-23 2010-08-23 17:49:44 by lb1586551
[Gaussian] 【求助】关于计算轨道组分的错误 (2/445) acnes 2010-08-23 2010-08-23 14:19:35 by yjcmwgk
[Gaussian] 【求助】零点能ZPE校正使过渡态能量低于反应物络合物中间体？ (3/2356) 奔鲨 2010-08-21 2010-08-23 14:15:53 by qwerasdf2783
[Gaussian] 【求助】计算与模拟研究 (2/314) lijie110 2010-08-22 2010-08-23 09:53:04 by lijie110
[Gaussian] 【求助】代理gaussian软件国内有哪些公司 (1/998) xiuhui 2010-08-23 2010-08-23 09:32:54 by hairan
[Gaussian] 【求助】NBO计算出现问题 (1/465) auybv 2010-08-22 2010-08-22 23:21:27 by beefly
[Gaussian] 【求助】两种软件同时使用发文章 (5/696) solarman 2010-08-21 2010-08-22 16:48:05 by solarman
[Gaussian] 【求助】急求审稿意见处理 (2/388) zyr3365754 2010-08-22 2010-08-22 11:08:27 by zyr3365754
[Gaussian] 【求助】请问轨道重叠和电荷转移之间有什么关系 (2/449) zyr3365754 2010-08-21 2010-08-22 10:10:37 by zyr3365754
[Gaussian] 【讨论】优化时考虑背景电荷 (0/193) z5476t4508 2010-08-21 2010-08-21 21:17:01 by z5476t4508
[Gaussian] 【求助】频率计算没有结果输出怎么办？ (0/196) chenxiankai 2010-08-21 2010-08-21 10:04:04 by chenxiankai
[Gaussian] 【求助】外行请教一下计算专家关于Electron Density的问题 (2/917) mahw 2010-08-20 2010-08-21 09:24:30 by zhou2009
[Gaussian] 【求助】将gaussian输入文件的内坐标转换为Standard orientation (2/652) sjzxbe 2010-08-20 2010-08-21 08:44:06 by abbott
[Gaussian] 【求助】Gaussian手册谁有，新手问路 (2/714) wq0304140125 2010-08-18 2010-08-21 07:48:29 by lb1586551
[Gaussian] 【求助】高斯内存出错，无法计算了.... (6/2488) fish_tank 2010-08-18 2010-08-20 15:28:54 by yjcmwgk
[Gaussian] 【求助】高斯弱智问题 (7/947) shangji2 2010-07-29 2010-08-20 13:27:08 by hu_hui
[Gaussian] 【求助】过渡态qst2没算完怎么接着继续算？    ( 1 2 ) (10/2357) hedan1215 2010-06-22 2010-08-20 13:17:27 by hu_hui
[Gaussian] 【求助】大家看看这个审稿意见的意思    ( 1 2 ) (12/1481) zyr3365754 2010-08-08 2010-08-20 09:04:08 by lgn
[Gaussian] 【求助】请教：当反应中存在共振结构时，如何研究反应机理？ (2/411) stewart1922 2010-08-18 2010-08-19 16:02:43 by stewart1922
[Gaussian] 【求助】离子的cis freq 问题 (2/325) aspire6816 2010-08-18 2010-08-19 11:44:39 by aspire6816
[Gaussian] 【讨论】Gaussian 计算激发态如何考虑背景电荷 (2/746) z5476t4508 2010-08-11 2010-08-19 10:31:34 by wnryc
[Gaussian] 【求助】如何计算磷光寿命 (4/2042) lixiaona158 2010-08-08 2010-08-19 10:30:48 by wnryc
[Gaussian] 【求助】计算荧光光谱的疑惑，求教！    ( 1 2 ) (18/3268) loovfnd 2010-08-09 2010-08-19 10:25:14 by wnryc
[Gaussian] 【求助】TDDFT和DFT的基组 (4/1075) tiechong 2010-08-12 2010-08-19 10:20:02 by wnryc
[Gaussian] 【求助】guassian 和vasp的区别 (5/2996) yidiandian2703 2010-08-06 2010-08-19 10:17:07 by wnryc
[Gaussian] 【求助】这句话的意思 (8/917) 贾贾 2010-01-12 2010-08-18 21:32:11 by chongchong11
[Gaussian] 【讨论】有做量化编程的吗 (4/1023) yinyuxin 2010-08-17 2010-08-18 19:02:01 by oyljw
[Gaussian] 【求助】gaussian中简正坐标的输出    ( 1 2 ) (10/1591) tiancj 2010-08-01 2010-08-18 11:36:05 by sobereva
[Gaussian] 【求助】加溶剂与不加溶剂，高斯计算的机时上的差异？？ (8/1641) piaoxue001 2010-07-30 2010-08-18 10:35:17 by ghcacj
[Gaussian] 【求助】过渡态优化 (4/992) lijie110 2010-08-17 2010-08-18 09:56:28 by lijie110
[Gaussian] 【求助】ccsd怎么用？ (2/487) xiaoxiao136 2010-08-16 2010-08-17 21:47:34 by beefly
[Gaussian] 【求助】求助过渡金属掺杂的计算 (4/1259) solarman 2010-08-16 2010-08-17 12:15:34 by solarman
[Gaussian] 【求助】gaussview 显示分子轨道的能量 (3/2336) qwerasdf2783 2010-08-16 2010-08-16 21:34:48 by shawwww
[Gaussian] 【求助】如何从头学习使用软件GAUSSIAN？ (3/1146) wq0304140125 2010-08-16 2010-08-16 21:25:35 by lxying
[Gaussian] 【求助】如何利用高斯程序计算二阶超极化率的密度分布 (0/365) 求学者@凤子 2010-08-16 2010-08-16 20:22:04 by 求学者@凤子
[Gaussian] 【讨论】计算团簇都用什么方法？ (0/697) 250260882 2010-08-16 2010-08-16 16:22:30 by 250260882
[Gaussian] 【求助】td计算时nstate和root区别？ (1/993) huangshp 2010-08-15 2010-08-16 08:20:45 by heyo_123
[Gaussian] 【求助】TDDFT结果中的偶极矩 (1/627) xiaogang06 2010-08-15 2010-08-16 07:17:56 by lihb734
[Gaussian] 【求助】Rsc数据库Dalton Transactions杂志的文章模板 (1/658) zhangwc5020 2010-08-15 2010-08-15 12:06:05 by abbott
[Gaussian] 【讨论】参加过2010 理论与计算化学暑期学校的大侠们    ( 1 2 ) (17/2003) 我为量化狂 2010-08-08 2010-08-14 19:00:53 by 狼外婆
[Gaussian] 【求助】请问能用量子化学计算方法算Tg吗？ (5/685) zzl7337 2010-07-24 2010-08-14 13:15:48 by yojie
[Gaussian] 【求助】有了gaussian view为什么还要学内坐标    ( 1 2 ) (10/2642) Hansongtao 2010-04-27 2010-08-14 04:37:57 by greaticeland
[Gaussian] 【讨论】学习方法重要还是做文章重要？？    ( 1 2 ) (10/1064) wanghanlu 2010-06-28 2010-08-14 02:49:31 by greaticeland
[Gaussian] [关贴]【活动】征集：高斯09能做但高斯03做不了的研究实例 (评阅+341) (8/1633) hairan 2010-07-19 2010-08-14 01:52:56 by greaticeland
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