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[热点] 过年走亲戚时感受到了所开私家车的鄙视链 瞬息宇宙 2026-02-21 刚刚
[Gaussian] 【求助】谁能说出各种“力场”并附上相关网址或文章吗? (2/246) javacfish 2009-08-17 2009-08-17 16:33:35 by childsliu
[Gaussian] 【求助】请问如何用gaussian模拟SiO2基板? (4/447) zzhwise 2009-08-16 2009-08-17 12:23:41 by zzhwise
[Gamess/ ] 【求助】请问谁能介绍一下Gamess各中流行版本的异同点吗? 2 (5/519) lihb734 2009-07-22 2009-08-16 21:15:43 by snoopyzhao
[Gamess/ ] 【求助】编译gamess出错 (5/801) javacfish 2009-08-16 2009-08-16 17:08:59 by snoopyzhao
[NBO/AIM] 【讨论】Gaussian优化+QCISD计算离解能+NBO分析 (0/431) xiaoqiu007 2009-08-15 2009-08-15 16:06:09 by xiaoqiu007
[其他] 【分享】分子模拟论坛的邀请码,发放完—停止出售—请到官方网站申请 (评阅+5) (7/538) javacfish 2009-08-10 2009-08-14 16:21:07 by xuyang1984
[NBO/AIM] 【讨论】请问用NBO5.0对分子进行自然键轨道分析,输入文件怎么写啊 (6/707) lorna639 2009-07-17 2009-08-14 16:17:39 by wcz2008
[Gaussian] 【分享】Gaussian03 C01 for windows , C02-64bit for linux and E01-64bit for linux (39/6092) lb1586551 2008-12-08 2009-08-14 15:41:28 by robertpeter2005
[Gaussian] 【求助】运行e6_01出错    ( 1 2 ) (13/940) zhousun888 2009-08-13 2009-08-14 14:59:56 by bluesky8588
[其他] 【讨论】小分子与配体之间的二硫键如何模拟? 5 (0/197) fantastic 2009-08-14 2009-08-14 13:43:41 by fantastic
[Gaussian] 【求助】如何冻结二面角? 8 (9/556) flyskysky 2009-07-16 2009-08-14 10:07:19 by tiechong
[Gaussian] 【求助】TS出错~求救!!!! (7/682) evariri 2009-08-12 2009-08-13 19:32:58 by evariri
[Gaussian] 【求助】[求助]请问Fe-C过渡态键长为多少? (4/602) dlstella 2009-05-18 2009-08-13 19:22:16 by penghcp
[Gaussian] 【求助】做能垒分析的步骤 (7/952) bergkamp888818 2009-08-06 2009-08-13 16:13:21 by gongxd325
[Gaussian] 【求助】求gaussian 在linux下的并行版! 8 (2/226) lb1586551 2009-08-09 2009-08-13 13:56:28 by snoopyzhao
[Gaussian] 【讨论】态密度    ( 1 2 ) (10/1705) babyhouse 2009-08-12 2009-08-13 12:54:21 by CKX
[Gaussian] 【原创】自组集群运行Gaussian的一些体会 (评阅+9) (4/784) gongxd325 2009-08-13 2009-08-13 12:53:20 by antediluvian
[Gaussian] 【求助】windows下高斯计算 (5/971) weixp2008 2009-08-11 2009-08-13 11:08:58 by abbott
[HyperCh ] 【求助】请教大家帮我计算一下苯酚和甲醇的分子大小 (9/1568) xiaohuochai222 2008-11-27 2009-08-12 22:45:56 by neweroica
[Gaussian] 【求助】电子结构性质    ( 1 2 ) (16/1054) 贾贾 2009-06-22 2009-08-12 22:05:57 by CKX
[其他] 【求助】100金币求分子模拟论坛的邀请码 (2/430) edupeng 2009-08-12 2009-08-12 21:33:39 by javacfish
[NBO/AIM] 【求助】NBO计算出错 (2/360) benpao2000 2009-08-12 2009-08-12 15:26:00 by benpao2000
[Gaussian] 【求助】计算方法求助 (3/950) 03110205ch 2009-08-12 2009-08-12 15:21:04 by liqx
[Gaussian] 【讨论】使用高斯计算是有点错误,大家讨论一下    ( 1 2 ) (12/1358) 李子园 2009-08-06 2009-08-12 12:14:40 by bluesky8588
[Gaussian] 【求助】求助优化方法 (6/459) gexiaojing 2009-08-11 2009-08-12 11:02:26 by 375642546
[其他] 【求助】关于volsurf中探针产生的参数 (1/191) panshf 2009-08-12 2009-08-12 08:58:16 by twister
[量化图形 ] 【其他】[求助]怎样画原子密堆积示意图 (2/202) lxyt 2009-08-11 2009-08-12 08:36:41 by lei0736
[Gaussian] [专家] 【其他】Gaussian-PBC目前最大的瓶颈是对称性 (评阅+3) (6/884) beefly 2009-08-10 2009-08-11 22:19:42 by 天空空
[Gamess/ ] 【其他】为什么没有贴呢? (1/98) poricaihong 2009-08-11 2009-08-11 19:19:04 by ferlich
[Gaussian] 【求助】用Mp2计算出现下面错误提示怎么办 (1/308) tpp001 2009-08-10 2009-08-11 19:04:38 by bluesky8588
[Molpro/ ] 【求助】moplro 软件 (0/211) lb1586551 2009-08-11 2009-08-11 16:58:35 by lb1586551
[Gaussian] 【原创】分享我的一点经验--生成热的计算 (14/2491) yanhualu2000 2009-05-18 2009-08-11 16:50:01 by mengfc
[量化图形 ] 【讨论】gaussview (8/971) babyhouse 2009-08-06 2009-08-11 16:47:03 by mengfc
[Gaussian] 【讨论】Gaussian版权讨论    ( 1 2 ) (19/1608) sci_papers 2009-08-09 2009-08-11 16:45:33 by mengfc
[Molpro/ ] 【求助】求助 (1/154) 66jia66 2009-08-08 2009-08-11 10:35:17 by sukhoiking
[其他] 【其他】求分子模拟论坛的邀请码 (1/342) mollyzhang 2009-08-11 2009-08-11 09:47:57 by javacfish
[Gaussian] 精华I【讨论】分子轨道成键类型(欢迎您的加入。。。。)    ( 1 2 3 4 5 6 .. 7 ) (60/7204) csfn 2009-06-03 2009-08-11 09:27:17 by zhaoj614
[其他] 【分享】分享namd2.71b的新版本 (评阅+4) (0/163) javacfish 2009-08-11 2009-08-11 08:38:43 by javacfish
[其他] 【求助】fieldtemplater (1/314) allright8937 2009-07-13 2009-08-11 08:19:03 by liuyihua
[其他] 【其他】购买javacfish的注册邀请码 (2/119) 童心 2009-08-10 2009-08-10 22:19:41 by javacfish
[Gaussian] 【讨论】高斯中过渡态问题 (8/1063) 3867826 2009-07-21 2009-08-10 20:58:58 by yjcmwgk
[Gaussian] 【求助】如何用高斯来研究原子的净电荷? (6/853) 水月慧心 2009-05-16 2009-08-10 20:57:56 by yjcmwgk
[Gaussian] 【求助】IRC的输入文件错在哪里了? (3/730) handongxue1011 2009-05-05 2009-08-10 20:04:26 by liqx
[Gaussian] 【讨论】tms 的 NMR (0/240) zhuimengren75 2009-08-10 2009-08-10 17:34:59 by zhuimengren75
[Gaussian] 【求助】氟乙烷与氟自由基的优化问题 (3/323) biaohua 2009-04-30 2009-08-10 13:36:19 by G03W
[Gaussian] 【求助】高斯中的BOMD    ( 1 2 ) (评阅+1) (12/2065) xiaowandouer 2008-12-17 2009-08-10 11:02:46 by yflchx
[量化图形 ] 【求助】怎样做三维的电荷密度差值图? (3/469) bearsisi 2009-05-18 2009-08-10 10:12:37 by ZDBWHZ
[Gaussian] 【求助】会做PBC的金虫bluce (3/525) maruimin 2009-05-11 2009-08-10 08:39:26 by ZDBWHZ
[Gaussian] 【求助】计算电子光谱时如何考虑温度效应 (7/915) S07111072 2009-05-11 2009-08-10 08:35:17 by ZDBWHZ
[量化图形 ] 【求助】Gaussian软件如何画这个输入结构    ( 1 2 ) (17/1431) li_yi_2004 2009-07-29 2009-08-10 00:39:23 by CKX
[Gaussian] 【求助】关于用高斯计算吸收谱和发射谱 (9/1313) mengfc 2009-08-05 2009-08-09 22:19:03 by mengfc
[Gaussian] 【求助】如何金属离子加上电荷 (7/927) sizj 2009-04-30 2009-08-09 21:52:18 by ZDBWHZ
[Gaussian] 【求助】用我全部金币找老师。    ( 1 2 ) (14/1288) pdsyao 2009-05-21 2009-08-09 21:51:16 by ZDBWHZ
[量化图形 ] 【求助】怎么用Gaussview建一个离子化合物的模型?谢谢! (5/1607) yu10230612 2009-06-20 2009-08-09 21:48:02 by ZDBWHZ
[Gaussian] 【求助】问:关于阴离子识别的优化 (6/538) wangting5288 2009-07-31 2009-08-09 21:10:29 by ZDBWHZ
[Gaussian] 【求助】半经验方法计算含硅的分子的激发态 (3/336) tiechong 2009-07-26 2009-08-09 20:58:03 by ZDBWHZ
a.u. 单位怎么用。 5 (3/858) dangsuihu 2008-10-06 2009-08-09 16:55:17 by optimist9105
[Gaussian] 【求助】分子坐标问题 (6/327) 贾贾 2009-08-08 2009-08-09 15:08:15 by 贾贾
[Gaussian] 【求助】The electronic density of states (DOS)怎么计算呢!如图 15 (8/1385) lzjjlu 2009-08-07 2009-08-09 10:08:58 by 贾贾
【原创】高斯交流群 (评阅+3) (2/102) hczheng899 2009-05-22 2009-08-09 09:36:53 by 悄悄6762
[量化图形 ] 【求助】linux下计算得到的.chk文件如何在win下的GaussView打开 (1/247) xiaoqiu007 2009-08-09 2009-08-09 09:18:13 by 贾贾
[Gaussian] 【求助】群论标识C2v, 1A1是什么意思    ( 1 2 ) (11/1471) freshgirl 2009-08-08 2009-08-09 01:01:55 by zwt2007
[Gaussian] 【求助】rwf文件问题 (5/992) 贾贾 2009-08-08 2009-08-08 21:54:57 by 贾贾
[Gaussian] 【求助】如何时时监控GAUSSIAN的优化过程????    ( 1 2 ) (11/929) hzfish 2009-08-02 2009-08-08 18:09:48 by gongxd325
[Gaussian] 【求助】分子第一单重激发态的HOMO、LUMO计算 (8/1944) z6242948 2009-07-29 2009-08-08 17:59:46 by mengfc
[Gaussian] 【求助】在用gaussian研究Mn-(ZnO)n时,如何得到Mn的3d轨道的磁矩 (0/196) qicoper 2009-08-08 2009-08-08 16:38:27 by qicoper
[Gaussian] 【求助】判断优化效果 (5/290) zhuimengren75 2009-08-08 2009-08-08 16:19:29 by zhuimengren75
[Gaussian] 【求助】高斯IP和EA计算 (3/710) zhuimengren75 2009-08-07 2009-08-08 16:19:07 by yjcmwgk
[Gaussian] 【求助】Gaussian计算的时候如何看是否并行(Linux)    ( 1 2 ) (10/792) phenols 2009-07-31 2009-08-08 15:48:49 by yjcmwgk
[Gaussian] 【求助】高斯优化 (3/518) zhuimengren75 2009-08-07 2009-08-08 15:44:14 by yjcmwgk
[Gaussian] 【讨论】Gaussian 09升级针对所有Gaussian 03用户 (评阅+2) (8/592) poppyly 2009-07-29 2009-08-08 15:41:55 by yjcmwgk
[Gaussian] 【求助】在gaussian 的输出文件中有 magnetic moment吗? (2/174) qicoper 2009-08-08 2009-08-08 13:12:21 by yzcluster
[其他] 【求助】谁给我一个分子模拟论坛邀请码,谢谢! (4/662) liuronglin 2009-08-06 2009-08-08 12:51:20 by ahugecat
[Gaussian] 【求助】请问激发态个数 (5/507) yuxuan1976 2009-05-13 2009-08-07 22:59:07 by dummy1
[Gaussian] 【分享】Viewing Gaussian Structures with GaussView (19/1995) epson009 2008-09-18 2009-08-07 15:54:44 by yanggang-0
[Gaussian] 【讨论】gaussian中溶剂化效应问题 (3/1089) frankchfangisl 2009-08-07 2009-08-07 13:12:02 by ZDBWHZ
【求助】关于gaussian碰到的问题    ( 1 2 ) 3 (19/778) beyond_zj 2009-08-03 2009-08-07 13:07:24 by beyond_zj
[其他] 【求助】关于Atom name 和 residue name (3/511) wld0328_17 2009-08-07 2009-08-07 13:05:09 by wld0328_17
[其他] 【求助】为什么我装的VMD用不了。 (7/945) tangjikede 2009-08-07 2009-08-07 13:04:11 by childsliu
[Gaussian] 【求助】为什么Eu使用小核赝势的时候有不同的基组呢? (3/745) lixiaona158 2009-07-24 2009-08-07 13:00:47 by ZDBWHZ
[其他] 【求助】为什么我装的VMD用不了。 (0/213) tangjikede 2009-08-07 2009-08-07 11:06:10 by tangjikede
【求助】怎么用gaussian来计算反应焓变。 (4/1270) bergkamp888818 2009-08-05 2009-08-07 10:39:51 by chinanhui
[Gaussian] 【求助】关于TDDFT的一个比较弱的问题 (2/388) mengfc 2009-08-05 2009-08-07 10:14:26 by yjcmwgk
[Gaussian] 【求助】各位大侠,Gaussian可以计算半导体材料的哪些性质?送10BB (3/564) wh1125 2009-07-23 2009-08-07 09:16:35 by dummy1
[Gaussian] 【求助】IR Inten怎么都是零呢    ( 1 2 ) (14/1185) benpao2000 2009-08-01 2009-08-07 06:51:03 by lorna639
[Gaussian] 【求助】QCISD计算离解能 (0/197) xiaoqiu007 2009-08-06 2009-08-06 23:39:22 by xiaoqiu007
[Gaussian] 【求助】如何设置键长在一定范围内变化 (4/744) wangting5288 2009-07-31 2009-08-06 21:23:10 by Shelly809
[Gaussian] 【求助】G03 D01 Linda 并行出错 (0/141) gongxd325 2009-08-06 2009-08-06 17:19:54 by gongxd325
[Gaussian] 【求助】研究势能函数主要有哪些? (5/527) xiaoqiu007 2009-08-05 2009-08-06 15:29:56 by liugang66
[Gaussian] 【求助】关于在高斯中使用溶剂关键词solvent (7/1619) loovfnd 2009-03-05 2009-08-06 14:16:52 by Aone1938
[Gaussian] 【求助】[求助]用高斯算分子间作用力    ( 1 2 ) (11/1999) sprayan 2009-08-02 2009-08-06 12:55:40 by ZDBWHZ
[Molpro/ ] 【求助】Molpro 可不可以计算辐射跃迁,如荧光光谱 (2/271) huabangou 2009-08-05 2009-08-06 09:40:19 by huabangou
[Gaussian] 【求助】QCISD单点能计算中单点能的取值 (0/185) xiaoqiu007 2009-08-06 2009-08-06 09:26:52 by xiaoqiu007
[Gaussian] 【求助】服务器问题求助    ( 1 2 ) (10/742) cdmcc 2009-07-11 2009-08-06 06:49:31 by lorna639
[Gaussian] 【求助】键的伸缩振动频率与红外强度 (9/1728) zzhenry 2009-05-29 2009-08-06 06:47:05 by lorna639
[Gaussian] 【求助】请问如何设计AB6型分子的几何构型?总共可有几种? (1/142) xiaoqiu007 2009-08-05 2009-08-06 00:53:37 by recoli
[Gaussian] 【求助】对于多原子分子或离子可能的自旋多重度如何确定 (3/628) xiaoqiu007 2009-08-05 2009-08-05 23:38:32 by xiaoqiu007
[Gaussian] 【求助】关于溶剂模型的问题 (2/450) yangguo0813 2009-08-05 2009-08-05 23:06:29 by zhangdi6802
[Gaussian] 【讨论】再问关于高斯优化后键的改变的问题 (1/514) hjsjs 2009-08-05 2009-08-05 20:12:53 by ferlich
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