24小时热门版块排行榜    

管理团队 (金币库 106963 充值 )

主管区长:
月只蓝小红豆
主管版主:
zhou2009paramecium86

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 亲密关系 宋昙 2026-10-22 刚刚
[Gaussian] 开壳层和闭壳层以及多重度的选择(转载) (2/3141) cjl1761 2012-02-23 2013-03-21 16:03:57 by 轩辕重出江湖
[Turbomo ] 如何使用turbomole (2/1045) fantastic 2012-10-04 2013-03-16 21:21:23 by lenienter
[Gaussian] 提取静态一阶超计划率计算锐利散射的小程序(修订) (3/589) 思雨G十年 2013-03-13 2013-03-15 22:41:38 by shenhai1315
[ADF/Dal ] [专家] 一个用ADF进行能量分解计算的例子 (5/3105) beefly 2011-05-04 2013-03-14 16:57:25 by lilachi
[量化新手 ] 量子化学——赖文(第五版,英文) (11/2352) 0709436 2012-02-14 2013-03-09 16:36:13 by zhchzhsh2076
[Gaussian] win 下 使用足够内存运行高斯的方法 (2/1544) t13340033021 2013-01-08 2013-01-10 21:54:40 by 0000372
[文章故事] 气相水分子团簇的宏观表现 (1/720) 霁雪 2012-11-08 2012-11-08 10:23:03 by zhou2009
[个人文集] 通向凝聚态物理和量子化学的终极之路--密度矩阵重整化群,从矩阵乘积态到张量网态 (19/5070) chrinide 2011-05-06 2012-10-31 19:03:38 by mljphy
[ADF/Dal ] 【分享】ADF band版块介绍 (12/1973) yjr 2009-05-20 2012-10-17 19:02:39 by kaletoppest
[其他] GMIN:A program for finding global minima (5/1484) gongyiweimu 2012-07-26 2012-10-13 12:29:33 by gongyiweimu
[SAPT/AO ] 【小卒个人文集】sapt的基本理念 (9/2099) yjcmwgk 2010-04-30 2012-10-04 01:23:00 by york2012
[其他] DPD (5/749) yxk8712 2011-05-07 2012-08-25 18:26:25 by abot866
[个人文集] batch_g03升级batch_auto_g03 啦! (7/1540) 10010602004 2012-06-30 2012-07-10 16:59:34 by xp2012808
[文章故事] PCCP发理论文章越来越难了? (10/3783) 学员f8qsBw 2012-03-01 2012-07-09 08:43:29 by 亚楠
[其他] 最新一期《化学进展》值得去扫一遍啊 (17/2478) Jasminer 2012-06-18 2012-06-20 23:14:23 by my1003
[个人文集] 【gmy个人文集】自己这段时间用GaussSum经验总结 (21/5387) gmy1990 2011-04-27 2012-06-12 18:42:57 by chuanan027
[其他] [专家] Jack Simons《电子结构理论》视频(youtube,新加youku链接) (8/2979) beefly 2011-09-13 2012-06-06 07:52:59 by zhangji3013
[个人文集] 【coolrainbow个人文集】刚刚编译个NWChem,发个经验吧 (11/2998) coolrainbow 2010-06-02 2012-05-28 11:49:58 by jove1782
[Gaussian] 【分享】GaussSum2.2.3及其相关组件安装 (30/4845) 吴大为 2010-06-14 2012-05-22 12:29:12 by navyzhang
[Gaussian] Basis Set Exchange: v1.2.2 (1/1408) cavediger 2012-05-20 2012-05-22 02:56:55 by yalefield
[量化新手 ] [关贴]送上一本《基础量子化学与应用》,我是新手,之前有这本书的话,多多见谅。 (1/895) chenxin1992 2012-05-17 2012-05-19 16:15:15 by 小红豆
[其他] 华南师范大学 <结构化学>课件 第一章 (1/665) 20102400124 2012-05-15 2012-05-16 05:34:41 by Quan.
[量化图形 ] Molden Density截图 简易背景由黑变白 (3/1402) mchen10 2011-05-11 2012-05-12 12:21:01 by nwwolfchj
[其他] 给大家一个国内在Theoretical Study of Clusters方面较有名气研究者的个人网站 (11/2506) sculhf 2012-04-03 2012-04-11 22:42:25 by wangchenju
[Gaussian] Gaussian培训中心——开课啦 (6/2029) annie720 2012-03-22 2012-04-04 15:54:03 by annie720
[量化图形 ] Xcrysden source code, Mac OS 安装 (0/2417) qphll 2012-03-21 2012-03-21 08:08:45 by qphll
[量化图形 ] 嘿嘿,刚看到的sobereva大姐的Multiwfn2.2.1,终于有linux版本啦…… (4/1422) 寒雨人生 2011-12-16 2012-03-11 13:59:16 by liuying287
[Gaussian] 贡献一个关于gaussian运算出错的网站 (20/2603) ryxiao 2011-11-29 2012-02-22 11:50:30 by yanglina062
[Gamess/ ] cclib 处理大于100个原子的系统 (GAMESS, parser) (0/543) fwang2011 2012-02-22 2012-02-22 00:35:10 by fwang2011
[ADF/Dal ] ADF2012 released, major update ADF software suite, from Stan (1/1297) syding1531 2012-02-04 2012-02-04 23:28:39 by cuiyoutian88
[量化新手 ] 精华I:  请各位量化同仁在科研的时候注意身体健康    ( 1 2 3 ) (103/12243) yjcmwgk 2010-11-15 2012-01-20 13:38:11 by 二师兄
[Gaussian] 关于Gaussian输出文件无法(正确)给出电子态(electronic state) 的解决办法 (2/1358) Miracle922 2012-01-11 2012-01-17 13:35:05 by hlq3175
[其他] 德国应化的一篇社论:Theoretical Chemistry—Quo Vadis? (23/1158) dwma 2011-09-02 2012-01-11 07:02:27 by wzwanglab
[量化新手 ] 精华III:  【资源】《计算与模拟研究》第二期正式发布    ( 1 2 3 ) (112/10602) yjcmwgk 2010-04-24 2012-01-05 16:44:00 by czbee
[其他] 计算化学 牛书 computational chemistry (0/760) inthemiddle 2011-12-25 2011-12-25 12:46:20 by inthemiddle
[Gaussian] 两本高斯经典书籍 (6/3315) 熊猫宝贝 2011-11-01 2011-12-14 13:21:27 by zljytu2011
[量化图形 ] Multiwfn: A Multifunctional Wavefunction Analyzer(JCC)by sobereva (13/2082) childsliu 2011-12-09 2011-12-11 01:18:35 by lonewolf659
[其他] 一个HF方法计算H2键长的matlab代码(一百多行) (2/1358) fangyongxinxi 2011-12-05 2011-12-06 11:53:05 by dhqdqk
[ADF/Dal ] 【分享】ADF2009最新试用版license分享 (12/2740) wuy069 2010-04-15 2011-11-29 13:01:52 by 守护001
[量化新手 ] 【分享】趣谈量子化学——言简意赅的量子化学入门书 (14/4317) 水月慧心 2009-08-14 2011-10-31 16:56:04 by jinquwl
[其他] [专家] 发一个国外的博后广告。研究领域:小分子量化计算/Jahn-Teller效应 (15/4226) beefly 2011-05-05 2011-10-15 01:20:05 by nwwolfchj
[NBO/AIM] [专家] 【原创】NBO2MOLDEN:把NBO图形文件转化为MOLDEN格式的工具 (4/2239) beefly 2010-01-13 2011-10-08 11:11:13 by emmaxue
[Gaussian] 量子化学半经验方法的缩写和全称对照(Updated 2010-APR-3)(转载) (2/767) yxk8712 2011-09-22 2011-09-28 08:35:33 by yxk8712
[HyperCh ] 【资源】HyperChem 程序及其应用 (9/2584) heyo_123 2009-11-24 2011-09-15 11:25:04 by jndx2008
[Turbomo ] 免费专业量子化学软件TURBOMOLE (12/3987) CKX 2011-06-07 2011-07-16 23:24:58 by bluewhale
[个人文集] 【pwzhou个人文集】Molpro 2010.1 PL20 并行编译 (5/3600) pwzhou 2011-05-06 2011-07-13 17:11:05 by arthur45415
[其他] 美国物理联合会正式发布了中文网站 (7/2219) chrinide 2011-06-17 2011-06-18 17:31:16 by sandf
[量化图形 ] QMolSymmetry:分子对称性识别,调整,优化(C++源码) (6/2713) zhangfq7112 2011-05-20 2011-05-26 08:33:15 by lihb734
[Gaussian] [专家] 【原创】做重元素post-HF计算的注意了,Gaussian的一个BUG! (6/1965) beefly 2011-04-13 2011-05-12 12:19:03 by yongleli
[个人文集] 【gchcaj个人文集】浅谈Orca计算BSSE校正 (5/3091) ghcacj 2011-05-06 2011-05-09 10:56:50 by green1986
[个人文集] 【zhou2009个人文集】关于Δρ计算的一些注意点 (5/1545) zhou2009 2010-12-23 2011-04-26 15:10:08 by 375642546
[个人文集] 【zhou2009个人文集】关于电荷计算的第二组分子 (4/2578) zhou2009 2010-07-17 2011-04-19 15:52:29 by sizj
[Multiwfn] 精华I:  【资源】sobereva的新程序multiwfn今天发表 (19/3817) zhou2009 2009-11-27 2011-03-09 21:29:16 by huangry2006
[HyperCh ] [专家] 【资源】量子化学程序NWChem改为开源,获取更容易 (22/4119) beefly 2010-07-16 2011-03-07 23:04:59 by beefly
[Gaussian] 【转帖】Gaussian03W E01(内含下载地址) (33/5880) Jasminer 2009-07-21 2011-01-22 22:31:09 by ruby0218
[其他] 【分享】跟大伙儿分享一本《计算化学》外文书籍 (11/252) 寒雨人生 2010-10-02 2011-01-11 15:05:23 by daiyulan85
[ADF/Dal ] 【分享】ADF2008及序列号2 (17/2716) lz830617 2009-06-04 2010-12-31 23:30:40 by 小白如水
[个人文集] [专家] 【beefly个人文集】Error: Inaccurate quadrature in CalDSu的解决方法 (2/1692) beefly 2010-12-12 2010-12-12 16:43:26 by fatpig8832
[Gaussian] 【分享】gaussian 03 中文版说明书 (3/959) jchenah 2010-11-15 2010-12-04 14:45:50 by DYZ2009
[Gaussian] 【分享】PC机linux系统安装g03过程 (6/2103) haiqin28 2010-11-12 2010-12-03 17:06:43 by 568268771
[其他] 【分享】The greatest science-fiction story ever written,Nature 467, 1146。波函� (1/413) siyang13 2010-11-26 2010-11-26 11:39:34 by manson1998
[Gaussian] 【资源】高斯03说明书 (4/187) piaoxue001 2010-05-28 2010-11-15 23:48:14 by 568268771
[其他] 【原创+分享】dalton-2.0的编译配置 (12/1722) zhangguangping 2010-05-06 2010-10-16 23:46:02 by qzhaosdu
[量化新手 ] 【资源】趣谈量子化学——言简意赅的量子化学入门书 (pdf+namipan) (23/4588) 狼外婆 2010-05-02 2010-09-15 17:42:41 by 游子8921
[Molpro/ ] 【绘图】molpro,2002,中文手册 (2/649) hanzhang 2010-08-29 2010-09-06 21:39:06 by physics7778
[量化新手 ] 【资源】gaussian的优化out文件和gaussian view显示的键长结果不一样 (2/1169) Hansongtao 2010-08-25 2010-08-29 08:46:54 by Hansongtao
[量化新手 ] 【分享】量子化学概念 (4/960) 武明义郑大 2010-08-06 2010-08-27 09:21:00 by 秋雨子
[Gamess/ ] 【分享】GAMESS tutorials (3/1002) snoopyzhao 2010-06-17 2010-07-16 00:03:15 by seainthesky
[Gaussian] 【资源】【软件】GaussSumexe-2.1.0 软件--分子轨道DOS (10/3087) Miracle922 2010-06-09 2010-06-11 08:24:35 by qianyang
[Gaussian] 【求助】谁有Gaussian 09W吗? (3/1521) yjshjb 2010-05-19 2010-05-19 21:00:10 by qida
[量化新手 ] 【经验】怎样问问题,才能得到高手的回答? (17/3457) yjcmwgk 2009-11-24 2010-05-17 21:49:47 by xulisonghai
[量化图形 ] 【经验】windows Seven和高版本下GaussView的设置 (1/772) pdce218 2010-05-11 2010-05-12 10:03:15 by 狼外婆
[Multiwfn] 【资源】GsGrid已经发表了1.6.4版了 (13/1832) zhou2009 2009-12-12 2010-05-08 21:46:50 by qzhaosdu
[NBO/AIM] [专家] 【分享】支持ECP的AIM程序 (0/394) beefly 2010-05-07 2010-05-07 14:45:20 by beefly
[量化新手 ] 【求助】量子化学新进展 (3/747) h122448503 2010-05-05 2010-05-05 20:42:04 by 15200505003
[其他] 【分享】菜鸟的东西:DFT方面的综述。 (1/718) tritiger 2009-10-07 2010-05-05 15:15:07 by 啊琨
[量化新手 ] 【分享】有关分子轨道理论的2个PPT (11/1738) fegg7502 2010-03-26 2010-04-29 19:52:13 by sssa06261984
[Molpro/ ] 【分享】Geim的石墨烯 nature上的论文 (0/761) gocsjn 2010-04-29 2010-04-29 13:07:19 by gocsjn
[Gaussian] 【原创】ylmf-os(ubuntu9.10)gaussian03c02 & gaussview3.09 (2/372) 吴大为 2010-04-24 2010-04-25 19:04:43 by heyo_123
相关版块跳转
查看