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    [热点] 请问2026国家基金面上项目会启动申2停1吗 锦衣卫寒战 2025-12-06 刚刚
    [Gaussian] 【求助】Latex 导入图片 3 (2/429) weixp2008 2009-06-27 2009-06-27 22:29:18 by snoopyzhao
    [其他] 【求助】关于巨正则蒙特卡罗 (2/410) zjuer 2009-06-27 2009-06-27 21:21:33 by lei0736
    [Gaussian] 【求助】结构 (0/124) yueya9113 2009-06-27 2009-06-27 20:58:04 by yueya9113
    [Gaussian] 【讨论】gaussian中的scale factor (1/219) 布丁3835 2009-06-26 2009-06-27 13:54:21 by Jasminer
    [Gaussian] 【求助】关于APT 电荷 2 (0/253) bents 2009-06-27 2009-06-27 11:28:40 by bents
    [Gaussian] 【求助】opt/freq和freq/raman计算 (4/545) littlemei 2009-04-29 2009-06-27 10:18:56 by henuhaog
    [Gaussian] 【求助】guess=read一直出错 (9/1377) tiechong 2009-06-24 2009-06-27 09:47:52 by henuhaog
    [Gaussian] 【讨论】G03中的TD-DFT 能计算Frank-Condon激发态的偶极矩吗 10 (1/457) 明080515 2009-06-26 2009-06-27 09:01:30 by yjmaxpayne
    【求助】拟合基组是怎么回事？【GAUSSIAN】 (3/319) sun1109715 2009-04-07 2009-06-26 22:49:46 by ice_rain
    [Gaussian] 【求助】死在L804怎么解决 (3/709) nanasj 2009-06-25 2009-06-26 20:58:09 by nxf_2008
    [Gaussian] 【求助】请大家帮忙 (6/768) huabangou 2009-06-23 2009-06-26 20:28:33 by 1983liuhb
    [Gaussian] 【求助】求助输出文件的意思 (2/149) huabangou 2009-06-26 2009-06-26 18:40:34 by yjcmwgk
    [Gaussian] 【求助】怎样计算磁化系数？ (2/212) YYTDD1124 2009-06-25 2009-06-26 18:21:18 by YYTDD1124
    [Gaussian] 【求助】优化结构可视化 (7/968) weixp2008 2009-06-25 2009-06-26 17:14:48 by henuhaog
    [量化图形 ] 【求助】如何在Gaussian view中构建质子化的分子模型？ (2/215) henuhaog 2009-06-26 2009-06-26 16:47:27 by recoli
    [Gaussian] 【求助】使用OVGF时怎么总是报错 (0/204) dingfmail 2009-06-26 2009-06-26 16:17:26 by dingfmail
    [Gaussian] 【求助】关于结构优化的两个问题 (6/383) lcl211 2009-06-25 2009-06-26 16:11:04 by zlding
    [ADF/Dal ] 【求助】使用ADF计算Xe NMR时遇到的一点问题 (评阅+1) (1/147) 时光匆匆 2009-06-26 2009-06-26 14:36:55 by suntao1982
    [Gaussian] 【求助】如何在Gaussion输入文件中，对特定的原子加特定的极化和弥散函数 (6/581) 0011608 2009-06-25 2009-06-26 11:48:12 by yjcmwgk
    [NBO/AIM] 【求助】NBO (2/232) lfengxia82 2009-06-26 2009-06-26 11:07:57 by erylingjet
    [其他] 【求助】急问：机房内计算机不明原因无故重启！ (5/639) qzhaosdu 2009-06-25 2009-06-26 10:26:52 by 王中学
    [ADF/Dal ] 【求助】使用ADF计算Xe NMR时遇到的一点问题 (0/209) 时光匆匆 2009-06-26 2009-06-26 09:50:04 by 时光匆匆
    [ADF/Dal ] 【求助】应用ADF计算NMR时可否进行BSSE计算？ (0/153) 时光匆匆 2009-06-26 2009-06-26 09:48:34 by 时光匆匆
    [ADF/Dal ] 【求助】应用ADF计算NMR时可否进行BSSE计算？ (0/157) 时光匆匆 2009-06-26 2009-06-26 09:47:20 by 时光匆匆
    [Gaussian] 【求助】关于IRCL9999错误的解决方案 (5/551) bents 2009-06-24 2009-06-26 08:49:21 by bents
    [其他] 【讨论】做药效团哪个软件比较好？ (0/117) allright8937 2009-06-25 2009-06-25 21:25:55 by allright8937
    [Gaussian] 【求助】计算非简谐频率出错！！！ (0/139) Handsome0419 2009-06-25 2009-06-25 18:26:48 by Handsome0419
    [Gaussian] 【求助】激发态电荷用什么命令算 (4/292) lmxue 2009-06-25 2009-06-25 17:46:36 by javy
    [Gaussian] 【求助】Maxcycle是什么意思    ( 1 2 ) (10/1152) yhl213 2009-06-22 2009-06-25 16:05:03 by 3867826
    [Gaussian] 【求助】Linux系统下安装高斯03出错    ( 1 2 ) (13/581) niuwenyu86 2009-06-23 2009-06-25 13:40:28 by bay__gulf
    [Gaussian] 【求助】linux高斯安装完之后运行出现这个问题是怎么回事？ (0/191) handongxue1011 2009-06-25 2009-06-25 10:30:12 by handongxue1011
    [Gaussian] 【求助】IRC L9999 错误 (3/408) bents 2009-06-21 2009-06-25 10:12:15 by bents
    [其他] 【转帖】有没有熟悉Kinetic Monte Carlo的同学啊？ (4/513) winterforce 2009-06-11 2009-06-25 10:10:13 by yyx19840628
    [Gaussian] 【求助】linux上运行gaussian出错 (4/520) 贾贾 2009-06-22 2009-06-25 10:09:41 by snowrine
    [Gaussian] 【求助】旋光计算结果问题 (4/442) climbnail 2009-06-23 2009-06-25 09:18:44 by Jasminer
    [Gaussian] 【讨论】过渡态虚频的校正 (6/521) majun04 2009-06-24 2009-06-25 09:14:21 by majun04
    [量化图形 ] 【求助】这个图用什么可以画出啊？ (2/439) abin21 2009-06-24 2009-06-25 05:02:56 by neweroica
    [NBO/AIM] 【求助】nbo计算是用极化基组还是不极化好呢？ (4/769) huangshp 2009-06-24 2009-06-24 23:22:12 by tiechong
    [Gaussian] 【求助】请问石墨烯激发态计算 (3/412) yuxuan1976 2009-05-11 2009-06-24 22:42:37 by c111999
    [Gaussian] 【求助】请问跃迁偶极距为负的意义 (3/361) yuxuan1976 2009-05-22 2009-06-24 21:45:39 by c111999
    [Gaussian] [专家] 【求助】请问TD计算吸收的问题 (1/146) jiewei 2009-06-22 2009-06-24 21:07:27 by c111999
    [Gaussian] 【求助】如何使定义的geom=connectivity固定住？    ( 1 2 ) (10/966) railic 2009-06-05 2009-06-24 18:53:56 by yjcmwgk
    [Gaussian] 【求助】关于如何调整高斯优化结果中的分子坐标问题 (2/270) Ado 2009-06-23 2009-06-24 18:50:53 by yjcmwgk
    [Gaussian] 【求助】高斯优化后发生键的断裂，请问怎么解决？    ( 1 2 ) (13/3067) xuxiao119 2009-06-19 2009-06-24 18:47:24 by yjcmwgk
    [Gaussian] 【求助】高斯如何读取以前保存的chk文件 (6/1175) tiechong 2009-06-22 2009-06-24 18:34:34 by yjcmwgk
    [其他] 【求助】学识东西 (2/124) 3867826 2009-06-24 2009-06-24 16:53:00 by 3867826
    [Gaussian] 【求助】没有出错信息gaussian (7/954) longyun80 2009-06-23 2009-06-24 16:23:51 by yjcmwgk
    [Gaussian] 【求助】文献中关于Gaussian的几句话，看不懂，求教！ (7/935) xuxiao119 2009-06-23 2009-06-24 16:22:19 by yjcmwgk
    [其他] 【讨论】原子间相互作用势 (3/709) tc1788 2009-06-24 2009-06-24 12:05:38 by lei0736
    [HyperCh ] 【求助】如何由氢键相连的两分子体系？ (1/332) yujia5038 2009-02-23 2009-06-24 10:40:17 by wsyg1986
    [NBO/AIM] 【求助】[求助]哪位有linux下的nbo5.0软件    ( 1 2 ) (18/619) spring965 2009-06-19 2009-06-24 09:31:20 by snoopyzhao
    [Gaussian] 【求助】高斯计算出错 (3/360) weixp2008 2009-06-23 2009-06-24 00:43:06 by weixp2008
    [其他] 【求助】请问 (5/253) ml3029 2009-06-18 2009-06-23 22:00:17 by gwdavid
    [Gaussian] 【求助】Debye和au的单位怎么换算 (2/265) lmxue 2009-06-23 2009-06-23 16:49:56 by lmxue
    [Gaussian] 【求助】用B3LYP可以算分子基态和激发态偶极矩吗 (2/427) lmxue 2009-06-23 2009-06-23 16:40:53 by lmxue
    [Gaussian] 【求助】新手求助:分子没有对称性 (2/331) huabangou 2009-06-23 2009-06-23 16:11:59 by huabangou
    [Gaussian] 【求助】求各位专家帮忙！    ( 1 2 ) (12/428) rainbow1859 2009-06-20 2009-06-23 12:53:30 by rainbow1859
    [Gaussian] 【求助】高斯输出可视化 (5/329) weixp2008 2009-06-23 2009-06-23 11:14:37 by weixp2008
    [Gaussian] 【求助】带电荷的分子应该用什么方法以及基主计算呢 (7/637) yyx19840628 2009-06-22 2009-06-23 10:51:40 by 贾贾
    [Gaussian] 【求助】tddft做吸收谱l914出错是什么原因啊？ (5/947) tiancj 2009-06-19 2009-06-23 10:10:02 by tiancj
    [Molpro/ ] 【讨论】molpro运行错误提示 (0/166) 66jia66 2009-06-23 2009-06-23 09:56:09 by 66jia66
    [Gaussian] 【求助】求助输出文件的意思 (2/468) huabangou 2009-06-22 2009-06-22 20:29:43 by yjcmwgk
    [Gaussian] 【求助】求助：the scf is confused (3/562) feiyang1210 2009-06-22 2009-06-22 13:46:27 by feiyang1210
    [Gaussian] 【求助】新手求助:在计算激发态前要不要进行一次单独的优化计算 (2/199) huabangou 2009-06-22 2009-06-22 11:28:34 by huabangou
    [Gaussian] 【求助】（很急）关于分子轨道    ( 1 2 ) (17/1052) xiguatailan 2009-06-15 2009-06-22 11:17:55 by zlding
    [版务] 【讨论】请问有使用solvate这个溶解程序的么？ (0/46) honeyman 2009-06-22 2009-06-22 10:51:14 by honeyman
    [NBO/AIM] 【求助】！NBO分析 (6/985) nwwolfchj 2009-03-19 2009-06-22 10:32:24 by yjcmwgk
    [NBO/AIM] 【求助】nbo（自然键轨道）分析中E2有什么意义？ (3/751) tephoon78 2009-04-22 2009-06-22 09:49:00 by lijingrui
    [Gaussian] 新虫报到漂亮MO的形成过程 (评阅+3) (5/688) quantumor 2008-10-22 2009-06-22 08:59:28 by sculhf
    [Gaussian] 【求助】新手请问,高斯输入文件中的原子数比要与实际晶体的一样吗 (6/542) huabangou 2009-06-19 2009-06-22 08:44:17 by huabangou
    [Gaussian] 【求助】高斯振荡问题 (3/695) 3867826 2009-06-21 2009-06-22 08:02:20 by suntao1982
    [Gaussian] 【求助】优化出错 (1/324) onion007 2009-06-21 2009-06-21 22:16:16 by jghe
    [Gaussian] 【求助】请问有没纯做荧光计算的    ( 1 2 ) (12/666) nxf_2008 2009-06-16 2009-06-21 21:44:11 by nxf_2008
    [Gaussian] 【求助】高斯振荡问题 (2/308) 3867826 2009-06-19 2009-06-21 20:33:15 by 3867826
    [Gaussian] 搞实验的虫子们，你希望用Gaussian计算什么？ (评阅+4) (5/939) quantumor 2009-01-29 2009-06-21 16:23:02 by majun04
    [Gaussian] 【求助】能量差值前后矛盾    ( 1 2 ) (11/821) yyx19840628 2009-06-16 2009-06-21 13:42:07 by yyx19840628
    [Gaussian] 【求助】【求助】HOMO、LUMO图的分析    ( 1 2 ) (10/1198) 贾贾 2009-06-20 2009-06-21 13:05:35 by 贾贾
    [ADF/Dal ] 【求助】NBO (3/659) 天宇5035 2009-06-20 2009-06-21 11:25:42 by csfn
    [其他] 【求助】有人知道分子连接指数怎么计算的么 (5/477) 107278161713 2009-06-20 2009-06-21 08:28:33 by snoopyzhao
    【求助】gaussian的批处理问题 (6/492) 雪狼乖乖 2009-03-28 2009-06-21 08:15:40 by ganlh
    [Gaussian] 【求助】hyperpolar 中的D是什么意思？ (2/127) mengsk 2009-06-19 2009-06-20 22:45:28 by mengsk
    [NBO/AIM] 【求助】NBO5.0W生成的轨道文件如何可视查看？ (3/403) yytsnake 2009-06-19 2009-06-20 22:04:26 by Jasminer
    [Gaussian] 【求助】opt 初始猜测的步数是怎么给的啊 (3/559) 王中学 2009-06-20 2009-06-20 20:30:58 by 王中学
    [Gaussian] 【讨论】怎么有效的算含镧系原子体系 (5/237) csfn 2009-06-16 2009-06-20 20:14:26 by yjcmwgk
    [Gaussian] 【求助】如何用弥散函数基组表示成键作用 (5/641) tiechong 2009-06-18 2009-06-20 19:45:29 by yjcmwgk
    [Gaussian] [专家] 【求助】请问一下设置步长的问题 (6/795) jiewei 2009-06-18 2009-06-20 19:44:19 by yjcmwgk
    [Gaussian] 【求助】络合物结构模拟用什么软件 (7/471) lbecust 2009-06-19 2009-06-20 19:31:06 by yjcmwgk
    [Gaussian] 【求助】求旋光计算输入语句    ( 1 2 ) (11/792) climbnail 2009-06-19 2009-06-20 19:10:23 by yjcmwgk
    [ADF/Dal ] 【求助】ADF与pdb 3 (0/136) yjr 2009-06-20 2009-06-20 10:50:34 by yjr
    [Gaussian] 【求助】External pdb viewer为何找不到设定的外部浏览器 (0/81) Hansongtao 2009-06-20 2009-06-20 09:58:35 by Hansongtao
    [Gaussian] 【讨论】高手请进！    ( 1 2 ) (11/572) 虚谦 2009-06-16 2009-06-20 09:48:33 by xuyawen3893
    [ChemOff ] 【求助】PDB viewer按钮为何打不开指定的Chem3D (0/93) Hansongtao 2009-06-20 2009-06-20 09:43:58 by Hansongtao
    [Gaussian] 【原创】Gaussian交流群招人 (评阅+2) (3/75) yjcmwgk 2009-06-12 2009-06-19 23:24:24 by csfn
    [Gaussian] 【求助】关于分子轨道的定性 (3/395) hairan 2009-06-19 2009-06-19 21:44:06 by c111999
    [个人文集] 【neweroica个人文集】手把手教你：如何用GaussView构造任意晶面 (0/31) neweroica 2009-06-19 2009-06-19 18:59:25 by neweroica
    【求助】有关Gaussian计算单点能的问题 (1/319) xiaoyu0043 2009-06-19 2009-06-19 16:50:17 by szmeng
    [其他] 组织模拟用什么软件？？ (2/297) wjx868 2008-09-27 2009-06-19 15:57:54 by wangzhen5865
    Understanding Molecular Simulation: From Algorithms to Applications (17/3066) z5476t4508 2008-10-12 2009-06-19 15:18:16 by creatnew
    [其他] 【求助】求链状分子的长度计算 4 (0/135) zhoudd103 2009-06-19 2009-06-19 14:04:02 by zhoudd103
    [HyperCh ] 【求助】如何运用swizard软件？ (1/314) gonghf07 2009-04-21 2009-06-19 11:57:47 by gaochao85
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