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    [热点] 求调剂 ffyyu 2026-04-04 刚刚
    [Gaussian] 【求助】过渡态 (0/220) 3867826 2010-01-07 2010-01-07 18:34:13 by 3867826
    [Gaussian] 【求助】小分子双键电荷密度的模拟 8 (1/212) wandong_1984 2010-01-07 2010-01-07 17:29:04 by zhou2009
    [Gaussian] 【求助】如何将分两次做的IRC结果IRC plot在同一张图上？ (0/247) littledwarf 2010-01-07 2010-01-07 16:56:36 by littledwarf
    [Gaussian] 【资源】再送一个mdbbs邀请码 (2/225) zhangmt 2010-01-07 2010-01-07 16:43:11 by qianyang
    [量化新手 ] 【求助】请问kinetic energies 表征什么吗？ (0/119) dingfmail 2010-01-07 2010-01-07 16:40:44 by dingfmail
    [Gaussian] 【讨论】Gaussian计算中的电荷分布与固定问题    ( 1 2 ) 32 (11/1142) llhxaustin 2010-01-06 2010-01-07 16:16:54 by llhxaustin
    [Gaussian] 【求助】这样的图能说明什么    ( 1 2 3 ) 8 (20/1305) 贾贾 2009-10-13 2010-01-07 15:00:20 by 贾贾
    [量化新手 ] 【求助】求一个有关微扰理论的课件 (6/382) lyl163com 2010-01-07 2010-01-07 11:14:36 by 283037202
    [Gaussian] 【求助】就一台机子在算，是不是不用装linda (3/433) yyx19840628 2010-01-06 2010-01-07 09:54:12 by yyx19840628
    [Gaussian] 【求助】波函数文件wfn如何导出 (3/470) nyyuan 2009-08-30 2010-01-07 09:15:55 by zhou2009
    [Gaussian] 【求助】谢谢 pwzhou (1/467) yyx19840628 2010-01-06 2010-01-07 09:03:54 by pwzhou
    [Gaussian] 【求助】关于Gaussian 中固定原子坐标，键长，的相关问题。 (3/1408) liujodan 2010-01-06 2010-01-06 21:31:13 by bay__gulf
    [量化图形 ] 【求助】有机小分子的构象计算 (1/233) tristan9362 2010-01-06 2010-01-06 21:20:21 by 3867826
    [Gaussian] 【求助】linux gaussian 运算 (4/1064) yyx19840628 2010-01-06 2010-01-06 21:16:00 by yyx19840628
    [Gaussian] 【求助】用高斯怎样计算红外啊，输入文件是什么啊，我是新手 (3/645) haibo66878779 2010-01-06 2010-01-06 19:58:25 by zpppanda111
    [Gaussian] 【求助】关于ONIOM的一个错误，期待您的解答 1 (6/447) liujodan 2010-01-05 2010-01-06 17:26:35 by liujodan
    [其他] 【求助】厦门大学的高性能计算中心服务器的ip是多少？ (3/398) ufoc 2010-01-06 2010-01-06 17:04:38 by czyzsu
    [Gaussian] 【求助】windows高斯最大内存设置问题 (5/2191) chj787 2010-01-02 2010-01-06 16:58:41 by liujun2006
    [Gaussian] 【求助】关于高斯PBC (0/165) onion007 2010-01-06 2010-01-06 16:01:39 by onion007
    [Gaussian] 【求助】键布居数问题 (9/1461) aaacjj 2009-12-29 2010-01-06 11:50:58 by aaacjj
    [Gaussian] 【求助】请教几个基础知识！ (2/307) zenzhiwen163 2010-01-05 2010-01-06 10:40:01 by 冬天里的骄阳
    [其他] 【求助】键能 2 (1/196) meiruxu 2010-01-05 2010-01-06 09:41:02 by maomao6972
    [Gaussian] 【求助】如何调用2PDM？ (2/203) wuy069 2010-01-05 2010-01-06 09:27:49 by yflchx
    [量化新手 ] 【求助】IRC确认 (4/501) G03W 2010-01-05 2010-01-06 00:35:22 by liujodan
    [Gaussian] 【求助】高斯计算出错 (3/497) wushuang7523 2009-12-30 2010-01-06 00:04:16 by liujodan
    [Gaussian] 【求助】频率计算中振动带强度的问题 (0/201) kent1022 2010-01-05 2010-01-05 21:16:25 by kent1022
    [Gaussian] 【求助】mean signed error 和mean unsigned error 2 (0/137) 北京一叶567 2010-01-05 2010-01-05 20:15:45 by 北京一叶567
    [Gaussian] 【求助】linux装高斯的时候改了环境变量怎么改回来？ (8/983) yyx19840628 2009-12-31 2010-01-05 20:03:44 by yyx19840628
    [Gaussian] 用过 MO6-L方法的人请进 (评阅+3) (0/437) chuchu6816 2010-01-05 2010-01-05 17:35:49 by chuchu6816
    [Gaussian] 【求助】轨道对称性部分出现很多问号！    ( 1 2 ) (11/1727) fly9810 2010-01-03 2010-01-05 17:17:56 by fly9810
    [Gaussian] 【求助】请高手帮忙解决一下这个问题 (1/211) chenxiankai 2010-01-05 2010-01-05 15:59:13 by sheskybird
    [Gaussian] 【求助】怎样查看健长、键角?    ( 1 2 ) (10/3193) septembers2079 2009-12-22 2010-01-05 15:28:07 by che-cha
    [NBO/AIM] 【求助】原子的前沿电子密度 (4/702) chuchu6816 2009-12-26 2010-01-05 15:24:49 by che-cha
    [Gaussian] 【求助】如何在高斯中计算Electronic Band Structures 或者 DOS 8 (2/237) lzjjlu 2010-01-05 2010-01-05 12:19:21 by lzjjlu
    [NBO/AIM] [专家] 【原创】Gaussian的NBO有BUG，会导致错误的MO bond order (评阅+5) (4/568) beefly 2010-01-05 2010-01-05 12:04:24 by beefly
    [Gaussian] 【求助】关于轨道杂化的疑问 (4/394) bluejh 2010-01-04 2010-01-05 11:45:49 by bluejh
    [Gaussian] 【讨论】ADMP (1/340) gaussian08 2010-01-04 2010-01-05 10:57:00 by yflchx
    [Gaussian] [关贴]【求助】80金币求助oniom的问题，需要您的解答（只要回复就给金币啦）{金币发完了}    ( 1 2 3 ) (21/1696) yjcmwgk 2009-06-06 2010-01-05 10:27:45 by yjcmwgk
    [Gaussian] 【讨论】TDDFT有什么缺点    ( 1 2 ) (13/1372) gnli 2009-12-30 2010-01-05 06:30:17 by gnli
    [量化新手 ] 【求助】甲烷简正振动可约表示 4 (2/227) 19850825lcf 2010-01-04 2010-01-05 04:43:32 by beefly
    [量化新手 ] 【求助】vasp计算碳纳米管的能带，ｋ点取的啥呀？多谢～～    ( 1 2 ) (15/1191) wmm－11 2010-01-04 2010-01-05 00:40:10 by wmm－11
    [Gaussian] 【求助】gaussian03c02是多少位的？ (6/440) yyx19840628 2010-01-04 2010-01-04 21:51:00 by yyx19840628
    [Gaussian] 【讨论】conver=7和默认的conver=8有多大区别呢？ (7/667) wmm－11 2009-12-14 2010-01-04 21:18:55 by wmm－11
    [量化新手 ] 【求助】小学生求助量子化学问题 4 (1/266) huaxue11 2010-01-04 2010-01-04 18:12:37 by yalefield
    [其他] 【求助】求助一篇关于HOMO，LUMO能校正的文献的出处 5 (2/284) lihb734 2010-01-03 2010-01-04 17:42:42 by llhxaustin
    [Gaussian] 【讨论】liux64位用什么高斯版本    ( 1 2 ) (12/827) yyx19840628 2009-12-11 2010-01-04 15:53:27 by yyx19840628
    [Gaussian] 【求助】请帮忙计算简单分子长度 (1/281) xunyu 2009-11-18 2010-01-04 15:36:31 by linzhongaiguo
    [HyperCh ] 【求助】hyperchem可以计算van der waals 体积吗？ (3/503) zhangdi6802 2009-06-07 2010-01-04 14:50:58 by 80猴
    [Gaussian] 【求助】如何计算分子表面积 (0/142) lifei_dut 2010-01-04 2010-01-04 09:32:06 by lifei_dut
    [其他] [关贴]【求助】求文献 (0/97) xiayunju9195 2010-01-03 2010-01-03 22:03:21 by xiayunju9195
    [ADF/Dal ] 【其他】ADF and MedeA vasp培训 (评阅+2) (9/995) wanlaifengji 2009-08-22 2010-01-03 19:17:59 by happyjwx
    [Gaussian] 【求助】Warning!!: The largest alpha MO coefficient is 0.77806290D+02是什么意思 (5/2117) zxwasd 2010-01-03 2010-01-03 17:26:00 by zxwasd
    [Gaussian] 【求助】菜鸟问题：高斯任务中断了，如何接着算？ 2 (3/1785) xuxiao119 2009-12-30 2010-01-03 14:40:14 by mengxiang9251
    [Gaussian] 【求助】GAUSSIAN计算中的几个问题 (1/219) yanmingsun18 2010-01-03 2010-01-03 11:00:53 by mengfc
    [NBO/AIM] 【求助】关于NBO (4/414) nanjinger 2009-12-31 2010-01-03 10:19:16 by nanjinger
    [Gaussian] 精华I:  【讨论】看了新影响因子之后的感慨    ( 1 2 3 4 ) (评阅+3) (34/3295) yjcmwgk 2009-06-20 2010-01-03 03:28:35 by chemin
    [Gaussian] 【求助】三重态优化出错，到底什么缘故? 12 (7/1071) xtdut 2009-12-29 2010-01-02 21:52:45 by lihb734
    [SAPT/AO ] 【求助】重金求SWizard software 2010版 10 (4/600) lengyan2723 2010-01-01 2010-01-02 21:45:56 by lihb734
    [Gaussian] 【讨论】为何结果不同    ( 1 2 ) (16/680) gnli 2009-12-30 2010-01-02 19:55:18 by yflchx
    [Gaussian] 【讨论】关于分子筛的量化计算 (7/726) liujodan 2009-12-25 2010-01-02 17:17:16 by liujodan
    [Gaussian] 【讨论】高斯是不是要退休了？    ( 1 2 ) (10/843) tigermartinwang 2009-12-31 2010-01-02 16:59:21 by yalefield
    [Gaussian] 【求助】Guassian 计算出错 (3/529) shontao 2010-01-01 2010-01-02 16:01:53 by gaochao85
    [量化新手 ] 【原创】量子化学的几个题目，有BB奖励哦！都来看看啊！ (0/165) zhongma88619 2010-01-02 2010-01-02 14:17:06 by zhongma88619
    [量化图形 ] 【求助】如何用molden画这个体系 (7/743) 求学者@凤子 2009-12-12 2010-01-02 11:42:17 by zindo
    [Gaussian] 【求助】关于gaussian频率计算的矫正问题 (5/640) zhanping 2009-12-15 2010-01-02 11:24:32 by zindo
    [Gaussian] 【求助】优化出错 5 (4/424) onion007 2009-12-07 2010-01-02 11:04:52 by onion007
    [Gaussian] 【求助】高斯bomd模拟怎么获得RMSD值？？ 10 (0/260) musterants 2010-01-02 2010-01-02 11:02:18 by musterants
    [Gaussian] 【求助】求助TD-DFT怎么操作？ (7/761) xuxiao119 2009-12-30 2010-01-02 10:03:09 by mengfc
    [Gaussian] 【求助】如何用高斯计算电子圆二色谱或OR (2/493) nigang0924 2009-12-23 2010-01-01 23:43:59 by linzhongaiguo
    [Gaussian] 【求助】直接从晶体数据导出结构来计算单点能的可信度有多高？    ( 1 2 ) (11/857) tiechong 2009-09-20 2010-01-01 22:18:14 by ZJboy
    [量化图形 ] 【求助】new cube直接选ESP和先选DENSITY后选ESP (7/526) tiechong 2009-10-02 2010-01-01 21:59:35 by ZJboy
    [Gaussian] 【讨论】审稿人意见关于entropic loss (1/172) xiaojun_jc 2010-01-01 2010-01-01 21:29:41 by jghe
    [量化新手 ] 【求助】关于两个苯环的pi-pi 相互作用的解释 (4/750) wanguangli 2009-12-21 2010-01-01 11:58:53 by hunanxiang
    [Gaussian] 【求助】我算一个分子的激发态（算禁带宽度） (4/427) siom5795 2009-12-29 2010-01-01 11:52:28 by hunanxiang
    [版务] 【其他】量化版12月专家工资发放贴    ( 1 2 3 ) (21/881) yjcmwgk 2009-12-29 2010-01-01 00:22:53 by 天空空
    [其他] 【求助】Glide时遇到的问题（已搜无重复） (0/117) tingjun 2009-12-31 2009-12-31 21:54:58 by tingjun
    [Gaussian] 【求助】IRC 出错 Unable to project occupied orbitals (2/301) lugang911 2009-12-31 2009-12-31 18:40:55 by lugang911
    [Gaussian] 【求助】问一个比较外行的问题。 (7/552) styrenes 2009-12-29 2009-12-31 18:08:02 by coolrainbow
    [Gaussian] 【资源】共享一本与储氢相关的书籍 (6/519) limaojlu 2009-12-30 2009-12-31 17:05:55 by limaojlu
    [Molpro/ ] 【求助】MOLPRO的CI如何设置选择MCSCF组态的系数 (2/364) beta81 2009-12-30 2009-12-31 12:19:40 by beta81
    [Gaussian] 【求助】Gaussian03中DFT问题 (1/238) chemin 2009-12-31 2009-12-31 10:34:59 by sculhf
    [量化新手 ] 【求助】求助中间体基础知识 (4/359) zenzhiwen163 2009-12-29 2009-12-31 09:47:51 by yjcmwgk
    [其他] 【讨论】问个问题啊？有关共价键成键 (2/222) zhongma88619 2009-12-29 2009-12-31 09:21:59 by zhongma88619
    [量化新手 ] 【求助】求助远程控制Linux中Gaussian 09的运行 (5/844) vigaryang 2009-12-29 2009-12-31 09:00:40 by chuchu6816
    [其他] 【求助】求助这个公式怎么编辑 (5/430) sjzsh2009 2009-12-30 2009-12-31 00:12:59 by sjzsh2009
    [Gaussian] 【求助】最新版的Gaussian03软件 (7/845) fwenling0506 2009-12-18 2009-12-30 21:35:02 by ganlh
    [Gaussian] 【求助】请问频率算不下去怎么回事呀？ (3/375) zhumeijun8 2009-12-30 2009-12-30 19:41:31 by heyo_123
    [Gaussian] 【求助】请高手看看这个问题    ( 1 2 ) (10/611) chenxiankai 2009-12-21 2009-12-30 18:40:22 by chenxiankai
    [Gaussian] 【求助】关于优化以及gaussview价键问题 (5/720) liujodan 2009-12-30 2009-12-30 17:06:48 by 冬天里的骄阳
    [量化新手 ] 【求助】请教linux下用GAUSSIAN如何入门 (8/809) yanmingsun18 2009-12-27 2009-12-30 16:42:49 by yanmingsun18
    [其他] 【求助】用QMforge进行Mulliken Population和C-squared Population有什么区别？ (0/259) tiechong 2009-12-30 2009-12-30 12:31:13 by tiechong
    [Gaussian] 【讨论】关于ADF与GAUSSIAN软件做优化时合理性的讨论    ( 1 2 ) (15/1223) sculhf 2009-12-29 2009-12-30 10:41:46 by gaoxiaoli
    [Gaussian] 【求助】计算BDE?帮忙回答一下 (7/722) chuannong 2009-12-29 2009-12-30 10:15:03 by hzfish
    [Gaussian] 【求助】求助中间体能量为何比离散态能量高 (1/170) zenzhiwen163 2009-12-29 2009-12-30 08:44:13 by zhangmt
    [Gaussian] 【求助】问个 g03 内存分配的问题，谢谢！    ( 1 2 ) 6 (10/1029) snoopyzhao 2009-12-25 2009-12-30 01:06:23 by snoopyzhao
    [Gamess/ ] 【资源】Compiling the Gamess (1/193) lb1586551 2009-12-30 2009-12-30 01:00:37 by snoopyzhao
    [Gamess/ ] 【求助】编译Gamess 出错 (8/606) lb1586551 2009-12-25 2009-12-30 00:13:29 by lb1586551
    [版务] 【其他】请各位虫友与区务组一起声讨科学网！！ (7/352) yjcmwgk 2009-12-29 2009-12-29 23:57:21 by beefly
    [ADF/Dal ] 【求助】优化问题 (3/313) qlihytc 2009-12-28 2009-12-29 22:05:19 by qlihytc
    [ChemOff ] 【求助】请教chemoffice2008 (4/500) yupinhua 2009-07-22 2009-12-29 21:30:33 by sculhf
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