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    [热点] 论文投稿,期刊推荐 中原小帕菜 2025-12-05 刚刚
    [其他] 【求助】最近看到CCL 的写信求助? (2/194) 3867826 2010-03-29 2010-03-30 10:14:09 by 狼外婆
    [Gaussian] 【求助】TDDFT荧光结果分析    ( 1 2 ) (17/1651) faqianliu 2010-03-23 2010-03-30 10:13:41 by aioria
    [Gaussian] 【求助】Gaussian restart 关键词 (5/1078) 15200505003 2010-03-28 2010-03-30 09:34:20 by 15200505003
    [Gaussian] 【求助】找过渡态时,谁遇到过这种问题? 7 (3/412) gnli 2010-03-29 2010-03-30 09:20:37 by hzfish
    [Gaussian] 【讨论】过渡态能量精确计算 10 (7/863) 467266420 2010-03-09 2010-03-30 09:10:52 by hzfish
    [Gaussian] 【求助】极化 (3/315) 1983liuhb 2010-02-05 2010-03-30 09:03:57 by 1983liuhb
    [Gaussian] 【求助】TDDFT算激发态,CI系数如何计算? (1/311) xuxiuhong2002 2010-03-29 2010-03-30 08:46:51 by xuxiuhong2002
    [Gaussian] 【求助】请教.wfn波函数文件的问题 (6/565) qzhaosdu 2010-01-27 2010-03-29 23:09:33 by beefly
    [HyperCh ] 【求助】hyperchem的batch 功能 (4/270) 学员fOzRO9 2010-03-22 2010-03-29 23:09:17 by chongchong11
    [个人文集] 【小卒个人文集】导师应该为我们做什么?    ( 1 2 3 4 ) (QC强帖+1)(30/1361) yjcmwgk 2010-03-11 2010-03-29 20:46:58 by 3867826
    [Gamess/ ] 【求助】IRC做不通 7 (6/725) pinebj 2010-01-17 2010-03-29 20:25:03 by kingkanglee
    [Gaussian] 【求助】gaussian中能否计算有机分子的直径或者表面积 15 (5/780) ph18 2010-03-16 2010-03-29 20:21:10 by kingkanglee
    [Gaussian] 【求助】请教oniom优化过渡态的问题 32 (3/364) 雨萍 2010-03-29 2010-03-29 20:18:50 by kingkanglee
    [量化新手 ] 【求助】硬度软度 (2/367) 15200505003 2010-03-29 2010-03-29 16:38:45 by yalefield
    [Gaussian] 【求助】polyrate9.7安装报错 5 (2/256) uuv2010 2010-03-27 2010-03-29 15:54:30 by susan09
    [Gaussian] 【分享】单点能 (19/2347) zhaoxia2501 2010-03-19 2010-03-29 11:34:50 by yjcmwgk
    [Gaussian] 【求助】荧光光谱、紫外可见光谱以及质谱如何计算 1 (6/825) woxiangfei 2010-03-09 2010-03-29 09:35:52 by fineren
    [Gaussian] 【求助】求助formchk @linux 错误 (8/567) 寒于水 2010-03-26 2010-03-29 08:48:10 by 寒于水
    [其他] 【求助】如何写源程序计算简单体系 (1/203) fangyongxinxi 2010-03-28 2010-03-29 08:14:41 by coolrainbow
    [Gaussian] 【求助】请大家帮我看下审稿人的意见关于Romberg differentiation procedure 6 (3/316) tangsw911 2010-03-27 2010-03-28 22:27:15 by kingkanglee
    [量化图形 ] 【原创】gaussview for Linux的安装 (5/2039) czyzsu 2009-05-19 2010-03-28 20:59:24 by 569480531
    [NBO/AIM] 【求助】关于potential and kinetic electron energy densities (0/159) lb1586551 2010-03-28 2010-03-28 17:00:14 by lb1586551
    [Gaussian] 【求助】求助 (2/223) fwenling0506 2010-03-25 2010-03-28 16:20:38 by fwenling0506
    [Gaussian] 【求助】CIS=Direct,的用法求教! (0/194) zhilv 2010-03-28 2010-03-28 15:12:19 by zhilv
    [量化新手 ] 【求助】如何精确求解氢原子体系?    ( 1 2 ) (15/797) fangyongxinxi 2010-03-26 2010-03-28 10:15:25 by coolrainbow
    [量化图形 ] 【求助】gview@linux安装(已解决,谢谢关注) 1 (4/615) 寒于水 2010-03-23 2010-03-28 10:13:12 by 寒于水
    [Gaussian] 【讨论】溴原子基组选择6-31+g*是否有错误??? (5/948) 043114076 2010-03-24 2010-03-27 12:19:10 by 043114076
    [Molpro/ ] 【求助】no分子的对称性    ( 1 2 ) (10/1092) 温差 2010-01-26 2010-03-27 10:54:59 by 温差
    [Gaussian] 【求助】CIS=Direct,rwf,的用法求教! (0/312) zhilv 2010-03-27 2010-03-27 09:58:07 by zhilv
    [Gaussian] 【求助】BOMD中Morse parameters 怎么得到的啊? 5 (0/178) LuPeng5366 2010-03-26 2010-03-26 23:24:34 by LuPeng5366
    [Gaussian] 【分享】清华大学化学系Gaussian98入门教材(喜欢的支持一下啊) (26/2273) 0011608 2009-04-01 2010-03-26 21:52:28 by Geminizhen
    [Gaussian] 【求助】乙酸乙酯 PCM参数 10 (2/204) hjg9 2010-03-24 2010-03-26 20:48:15 by hzfish
    [量化新手 ] 【求助】关于金属离子的电子自旋状态 3 (2/456) haolcx 2010-03-26 2010-03-26 20:25:50 by recoli
    [版务] 【其他】量子化学版2-3月的专家奖励发放 (0/102) yjcmwgk 2010-03-26 2010-03-26 20:03:41 by yjcmwgk
    [版务] 【活动】“手握鼠标秀”量化版开心活动【回帖发pp,就给五金币】    ( 1 2 ) (18/816) yjcmwgk 2010-03-24 2010-03-26 18:14:41 by gromacs
    [Gaussian] 【求助】菜鸟问题:Gaussion03有for Windows和Linux两个版本,还是……? (3/360) beyondjun 2010-03-26 2010-03-26 15:38:40 by mengfc
    [Gaussian] 【求助】SCF=sleazy 和 SCF=tight 分别用在什么情况? 3 (1/353) vallen 2010-03-26 2010-03-26 14:39:59 by jasondu
    [Gaussian] 【求助】构型优化计算    ( 1 2 ) (15/1238) zxwasd 2010-03-20 2010-03-26 12:05:53 by zxwasd
    [Gaussian] 【求助】怎么计算GaAs分子的原子键能 (5/602) yijianglan 2010-03-25 2010-03-26 10:33:42 by yijianglan
    [Gaussian] 【分享】转换Gaussian 09的output为Gaussian 03的格式 (评阅+10) (7/784) pwzhou 2010-03-24 2010-03-25 23:30:37 by zhangmt
    [ChemOff ] 【求助】急求四个物质的CCDC晶体结构(新问题) (4/602) ppshanshanqiu 2010-03-25 2010-03-25 22:11:10 by ppshanshanqiu
    [Gaussian] 【求助】非d10过渡金属计算吸收谱 13 (5/468) agou8888 2010-03-24 2010-03-25 22:09:28 by agou8888
    [Gaussian] 【求助】求个能用的G03-c02-32位-linux (5/394) 狼外婆 2010-03-16 2010-03-25 21:22:05 by 狼外婆
    [Gaussian] 【求助】gaussian03-linux-forrtl: severe (174): SIGSEGV, segmentation fault occur (2/343) 狼外婆 2010-03-25 2010-03-25 21:21:16 by 狼外婆
    [量化新手 ] 【求助】物质的初始结构 (4/294) dreamyeye 2010-03-23 2010-03-25 19:34:51 by dreamyeye
    [Gaussian] 【求助】D2O的输入文件 (2/271) danni511 2010-03-24 2010-03-25 19:33:27 by danni511
    [量化新手 ] 【求助】计算结果 (2/190) dreamyeye 2010-03-24 2010-03-25 19:32:21 by dreamyeye
    [Gaussian] 【求助】酰胺自由基计算出错 3 (2/197) zhaoxia2501 2010-03-25 2010-03-25 17:50:42 by zhaoxia2501
    [Gaussian] 【求助】怎么求带频率的超极化率? (2/225) fcfifa2002 2010-03-25 2010-03-25 15:58:23 by fcfifa2002
    [Gaussian] 【求助】关于qst2计算方法错误的解释? (2/257) xuliang4423 2010-03-25 2010-03-25 14:34:00 by 3867826
    [量化新手 ] 【求助】自旋多重度设置错误 (0/169) G03W 2010-03-25 2010-03-25 14:24:29 by G03W
    [Gaussian] 【求助】自然轨道可以可视化吗 (6/490) Roseshu 2010-03-23 2010-03-25 11:54:24 by yjcmwgk
    [Gaussian] 【求助】Error in internal coordinate system (1/377) 布丁3835 2010-03-25 2010-03-25 11:51:51 by heyo_123
    [Gaussian] 【讨论】用Oniom方法研究反应机理 9 (4/522) acco98 2010-03-11 2010-03-25 11:50:09 by sophia_999
    [Gaussian] 【求助】DFT-D计算应该如何具体操作 10 (6/720) xiaoboy185 2010-03-20 2010-03-25 11:48:10 by xiaoboy185
    [Gaussian] 【求助】gaussian程序使用的问题 (4/340) kekemi_1127 2010-03-17 2010-03-25 11:43:06 by heyo_123
    [NBO/AIM] 【求助】请问我的体系能否进行AIM计算 (6/899) vigaryang 2010-01-08 2010-03-25 10:42:42 by zpppanda111
    [量化新手 ] 【求助】氧原子自旋多重度    ( 1 2 ) (11/1783) lene2359 2009-12-07 2010-03-25 09:36:21 by lene2359
    [Gamess/ ] 【求助】gamess的SCF收敛问题 (5/546) xuhu_11 2010-03-24 2010-03-25 08:24:19 by xuhu_11
    [Gaussian] 【求助】请问带电荷的体系势能面怎么扫描啊 48 (1/205) carlin 2010-03-24 2010-03-25 02:51:39 by fooo
    [量化新手 ] 【求助】需要您指点指点 进来看看你能回答的 (2/223) fegnzaixie 2010-03-23 2010-03-24 21:49:44 by springxa
    [Gaussian] 【求助】gaussian03 计算频率 再请教 (4/489) 教师刘810 2010-03-24 2010-03-24 19:00:23 by Roseshu
    [Multiwfn] 【求助】关于电子密度图的疑问 (3/421) qianyang 2010-03-24 2010-03-24 18:22:11 by qianyang
    [Gaussian] 【求助】fchk文件用gview打不开 (2/320) cj4566 2010-03-24 2010-03-24 17:36:56 by cj4566
    [NBO/AIM] 【求助】AIM软件中途关闭 (0/134) zhangnina626 2010-03-24 2010-03-24 17:14:53 by zhangnina626
    [量化新手 ] 【求助】CBS-APNO怎么翻译? 3 (0/167) ljfyf 2010-03-24 2010-03-24 16:11:01 by ljfyf
    [量化新手 ] 【求助】关于四个量子数,谁能给个最精准的解释? (6/643) 咸味梦枕 2010-03-14 2010-03-24 14:52:50 by 咸味梦枕
    [量化图形 ] 【求助】如何利用GV或Chemoffice画金属配合物 (3/629) jxzhao 2010-03-16 2010-03-24 13:58:12 by ZDBWHZ
    [量化新手 ] 【求助】HCl中氢氯键键长是多长? (2/2969) xiaoxia8303 2010-03-21 2010-03-24 10:15:19 by xiaoxia8303
    [Gaussian] 【求助】请问如何能算得更大波长    ( 1 2 ) 4 (11/617) yuxuan1976 2010-03-19 2010-03-24 09:55:10 by yling10
    [量化新手 ] 【求助】ab initio calculation该怎么翻译? (7/1003) zhmiao119 2010-03-08 2010-03-24 09:30:44 by yling10
    [Gaussian] 【求助】gauss计算频率 (4/363) 教师刘810 2010-03-23 2010-03-24 04:50:40 by fooo
    [量化新手 ] 【求助】一个自由基夺氢原子的过渡态自选多重度设为多少? (1/357) G03W 2010-03-23 2010-03-24 04:46:54 by fooo
    [Gaussian] 【求助】gaussian03 计算频率 (3/512) 教师刘810 2010-03-23 2010-03-24 04:36:14 by fooo
    [Gaussian] 【求助】gaussian计算时报错 (2/215) 李敏5033 2010-03-23 2010-03-23 22:47:25 by abbott
    [Gaussian] 【求助】为什么gaussian03w E01 使用sleazy就出错?    ( 1 2 ) (12/633) aaq2800 2010-03-08 2010-03-23 22:37:22 by shuo2008
    [Gaussian] 【分享】centos下gaussian 03 安装 (评阅+1) (3/582) shuo2008 2010-03-18 2010-03-23 22:25:10 by shuo2008
    [Gaussian] 精华I【转载】高斯中溶剂模型没有相应溶剂的解决办法[zz] (4/2576) czyzsu 2010-01-20 2010-03-23 21:43:21 by haifeng-quan
    [量化新手 ] 【求助】单点能选择 (1/195) G03W 2010-03-23 2010-03-23 20:21:37 by yanmingsun18
    [量化新手 ] 【求助】opt=TS的时候大家的自旋多重度值怎么设置的? (2/247) G03W 2010-03-20 2010-03-23 18:22:13 by G03W
    [Gaussian] [专家] 【资源】量化图形显示懒人包(含sigmaplot11) (评阅+3) (9/984) ggdh 2009-11-04 2010-03-23 16:32:33 by 小八
    [其他] 【求助】如何上传文件啊,想分享个东西找不到上传的地方 (2/203) gromacs 2010-03-22 2010-03-23 13:47:09 by gromacs
    [Gaussian] 【讨论】高斯中stable测定波函数稳定性对于三线态是必须的吗? (3/720) Jenny0428 2010-03-22 2010-03-23 12:35:59 by Jasminer
    [量化新手 ] 【讨论】关于分子内张力的英语习惯问题? (2/173) lswx1014 2010-03-21 2010-03-23 11:14:08 by lswx1014
    [Gaussian] 【讨论】gaussian在linux下的pbc进程请教 (5/393) zhanping 2010-03-22 2010-03-23 10:35:05 by heyo_123
    [Gaussian] 【求助】ecd作图 (2/406) orangedp6597 2010-03-21 2010-03-22 22:19:19 by orangedp6597
    [ChemOff ] 【求助】Chemdraw里怎么画金属配合物的配位键 (3/2028) shontao 2009-12-20 2010-03-22 20:59:40 by sunhaitao
    [Gaussian] 【求助】force constants (0/199) 我思固我在 2010-03-22 2010-03-22 20:56:23 by 我思固我在
    [其他] 【分享】http://www.mdbbs.org/?fromuser=tangbaowei (3/307) tangbaowei 2010-03-22 2010-03-22 19:57:55 by tangbaowei
    [Gaussian] 【求助】坐标问题 6 (金币≥100)(2/52) lixue510 2010-03-22 2010-03-22 18:28:32 by lixue510
    [Gaussian] 【求助】结构优化收敛指标Force值突然增大 (4/381) gnli 2010-03-21 2010-03-22 18:19:52 by gnli
    [Multiwfn] 精华I【求助】关于自定义cube文件的一个疑问,20金币,谢谢诸位高手    ( 1 2 3 ) (21/1797) yjcmwgk 2009-10-19 2010-03-22 15:01:53 by Derchief
    [Gaussian] 【求助】电子能级和振动能级怎样计算? 17 (3/432) loovfnd 2010-03-09 2010-03-22 12:29:50 by fooo
    [Gaussian] 【求助】gaussian 输出只有电荷没有bond population? 3 (1/150) huangshp 2010-03-19 2010-03-22 11:35:30 by huangshp
    [其他] 【求助】关于schrodinger suite报告的白痴问题 (2/258) zzj20100111 2010-03-22 2010-03-22 10:42:03 by zzj20100111
    [Gaussian] 【求助】同样的初始结构,为什么不同的自旋多重度优化出来的结构相差很大啊 8 (3/709) shenhaige 2010-03-19 2010-03-22 09:00:52 by shenhaige
    [Gaussian] 【求助】cis优化总出现这种错误 6 (2/189) bookworm11 2010-03-21 2010-03-21 22:13:27 by springxa
    [Gaussian] 【讨论】gaussian pbc运行问题 (3/321) zhanping 2010-03-15 2010-03-21 03:26:53 by beefly
    [Gaussian] 【求助】windows下的Gaussian能否实现并行运算 (9/734) freshgirl 2009-08-08 2010-03-21 00:33:45 by zhanping
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