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    [热点] RSC ADV状态问题 liukun2436 2025-12-05 刚刚
    【求助】硬件菜鸟想做计算,谁能给推荐个品牌PC机    ( 1 2 ) (评阅+1) (15/942) y12345 2009-11-04 2010-03-23 12:56:16 by y12345
    [其他] 【转帖】化学反应中分波共振现象 (3/335) yalefield 2010-03-22 2010-03-23 12:04:47 by scnlong
    【转帖】AIM理论将代表理论化学的发展方向?(原创+转载)    ( 1 2 3 ) (评阅+8) (20/1752) coolrainbow 2009-06-28 2010-03-23 11:09:37 by shagua8352
    【求助】计算机 u盘 (评阅+2) (4/550) pd8312008 2010-01-16 2010-03-23 10:17:25 by rongke
    【求助】三个关于赝势的问题,请各位大侠解释一下,感激不尽 (评阅+2) (2/544) wanguangli 2010-01-25 2010-03-23 10:15:03 by 圆梦886
    [其他] 【分享】分享一个分子模拟论坛 (2/283) tangbaowei 2010-03-22 2010-03-22 19:57:17 by tangbaowei
    【求助】vb数据库相关问题 40 (评阅+1) (0/214) wangjian087 2010-03-22 2010-03-22 10:39:08 by wangjian087
    [其他] 【求助】选择mopac关键词问题 (评阅+1) (2/410) wangdan7674 2010-03-16 2010-03-21 17:43:07 by snoopyzhao
    [其他] 【求助】5个因素的均匀实验设计怎么做 5 (评阅+1) (3/540) summer8825 2010-03-19 2010-03-21 10:51:58 by summer8825
    【求助】有关mathematica计算得多解的问题 (评阅+1) (3/359) haiyan7988 2009-11-27 2010-03-19 08:53:07 by haiyan7988
    【求助】如何能改变CCSD的收敛标准【问题已经解决】 (评阅+1) (3/409) yaowenzhi 2009-12-07 2010-03-19 08:52:57 by 467266420
    [其他] 【求助】word里怎么编辑矩阵公式? (评阅+1) (2/416) angelcc 2010-03-18 2010-03-18 19:09:33 by tianlangxingaa
    [其他] 【其它】理论计算群推广 (评阅+2) (0/278) Tavel 2009-12-08 2010-03-18 08:52:40 by Tavel
    【求助】Yb3+离子在立方晶场环境下的stark能级计算 (评阅+1) (0/291) 学员Ytyk3r 2010-03-17 2010-03-17 21:29:35 by zwlong
    【求助】Gamess能发高质量的文章吗?    ( 1 2 ) (12/1176) piaoran168 2009-09-05 2010-03-17 18:40:43 by snoopyzhao
    【求助】求助几种碳化物的晶体结构参数 (评阅+1) (6/510) liuhongge1 2010-03-16 2010-03-17 18:03:30 by 老虎大王
    【求助】请教,如何模拟晶格振动! (评阅+1) (4/611) tfl03 2009-11-24 2010-03-17 10:10:47 by lei0736
    [其他] [关贴]【求助】有人遇到过这种情况吗 如何处理之? (评阅+2) (2/281) dongdong3881 2010-01-10 2010-03-16 21:59:11 by dongdong3881
    【求助】热力学中一个单位的换算 (评阅+1) (1/450) labyham 2010-03-16 2010-03-16 21:32:05 by 老虎大王
    【求助】请教建立颗粒随机分布的模型要用到什么算法和软件 (评阅+1) (0/365) tzh906 2010-03-16 2010-03-16 11:52:39 by tzh906
    [其他] 【求助】减阻率与粘度的关系 (评阅+1) (0/266) hantao_307 2010-03-15 2010-03-15 21:23:08 by hantao_307
    [其他] 【求助】请问谁能上传Reviews in Computational Chemistry 2 (评阅+1) (2/297) hjsjs 2010-03-14 2010-03-15 15:50:26 by fegg7502
    [其他] 【求助】拟合 (评阅+1) (3/310) guqiaoli20 2010-03-14 2010-03-15 14:00:31 by dxcharlary
    [其他] 【求助】GUASSIAN 计算二阶极化率时输出文件中的单位Bohr**3代表什么 2 (评阅+2) (金币≥10)(1/57) yangzhaodi1978 2009-08-13 2010-03-15 10:10:31 by wcz2008
    【求助】请教:关于沸石膜分离同分异构体的数学模拟问题 10 (评阅+3) (1/330) palladium886 2010-02-28 2010-03-15 00:35:38 by zyj8119
    【求助】请问在MS里有尖晶石的结构吗? (评阅+1) (5/487) yuanszsw 2010-01-29 2010-03-15 00:02:36 by gengguanggang
    [资源共享] 【求助】请教ADF教程 (评阅+1) (2/389) aerosmith 2009-08-19 2010-03-12 21:49:15 by paopao1122
    【求助】根据已知的半导体能带分布怎样算出费米能级呢? 8 (评阅+1) (3/580) quasi9127 2010-03-07 2010-03-12 13:58:44 by dongdong3881
    [其他] 【求助】国内有哪些牛X的课题组? (评阅+1) (3/512) 3867826 2010-03-04 2010-03-11 19:43:13 by encke
    [其他] 【求助】什么是量子化学中的CBS方法 ? (评阅+2) (6/803) gothicfat 2010-03-10 2010-03-11 18:38:03 by gothicfat
    [其他] 【求助】纳米盘下载慢的原因? (评阅+1) (4/840) Kai_S 2010-03-06 2010-03-11 11:45:53 by sobereva
    [其他] 【转帖】关于薛定谔的概率问题(轻松一下) (评阅+1) (7/677) yjcmwgk 2010-02-16 2010-03-10 12:37:13 by ftp0000
    【求助】关于计算材料学的应用 (评阅+1) (7/804) 窝窝头儿 2009-10-15 2010-03-09 23:39:26 by css8170
    【求助】求助B-Mg-Pb相图 20 (评阅+1) (1/1224) meimeidyh 2010-02-19 2010-03-09 21:24:36 by phasediagram
    【求助】请教p-block 金属是什么意思 (评阅+1) (1/493) 姚姗姗 2010-03-09 2010-03-09 18:19:58 by abbott
    【求助】求助cu-ni-sn的tdb文件    ( 1 2 ) 4 (评阅+1) (10/581) landie1986 2010-03-03 2010-03-09 14:32:15 by landie1986
    [其他] 【求助】求助-关于空实验数据的拉平比较 (评阅+1) (0/197) darcycao 2010-03-08 2010-03-08 21:35:09 by darcycao
    [招聘&会 ] [关贴]祝贺luoqiquan 任本版实习版主(金币发放中。。。)    ( 1 2 3 ) (评阅+10) (24/1086) csfn 2009-12-18 2010-03-08 13:58:42 by chenqibo
    [关贴]【求助】请教徐昕老师提出的 X3LYP在Gaussian03中如何输入 (评阅+1) (8/739) brilliant 2010-01-14 2010-03-08 07:06:31 by brilliant
    【求助】请求支援 (评阅+1) (2/292) jeanie163 2010-03-06 2010-03-07 17:12:45 by aaxww
    【求助】哪里有matlab7.0的视频 (评阅+1) (6/600) 曾令权 2009-11-04 2010-03-07 16:58:25 by 曾令权
    [其他] 【求助】如何进行结构树对比和添加? (评阅+1) (2/284) kennyz 2010-03-01 2010-03-07 16:05:10 by kennyz
    【求助】键长 (评阅+1) (1/283) mstzhang 2010-03-07 2010-03-07 15:18:06 by luoqiquan
    【讨论】发现 2F1 函数的一个大问题,欢迎讨论。 (评阅+2) (2/340) pizi7880 2010-03-05 2010-03-06 21:23:11 by tfl03
    【求助】热力学软件运用问题 已解决 (评阅+1) (0/260) 拓海1627 2010-03-06 2010-03-06 14:13:43 by 拓海1627
    【讨论】各种计算软件的针对领域 (评阅+5) (3/459) liebao100 2010-02-22 2010-03-06 07:52:49 by liebao100
    【求助】碳纳米管的图像用什么软件画 45 (评阅+1) (3/490) wangbaoyu1237 2010-03-05 2010-03-05 19:37:02 by qzhaosdu
    [其他] 【求助】关于空间位阻能的计算 (评阅+1) (2/859) chyy82 2010-03-03 2010-03-05 14:30:03 by chyy82
    【求助】C语言的一个问题    ( 1 2 ) (评阅+1) (11/830) liuliyanatqx 2009-12-14 2010-03-05 11:51:18 by snoopylxp
    [资源共享] [专家] 精华III【分享】电子书下载:The Fragment Molecular Orbital Method (10/1149) beefly 2009-08-11 2010-03-04 17:45:12 by Quan.
    【求助】求助正交硫和单斜硫的相关数据 (评阅+1) (3/411) 小儿多聪明 2010-03-03 2010-03-03 20:17:26 by 小儿多聪明
    [资源共享] 精华III【分享】新书:Introduction to Grid Computing (9/1017) roco 2009-05-19 2010-03-03 13:08:10 by sheath
    [资源共享] 【分享】DS discovery studio 英文视频教程,希望大家喜欢 (14/784) qixingbao07 2009-05-22 2010-03-03 13:07:50 by mingdong
    【求助】门外汉,求教! (评阅+5) (6/423) sanshi9605 2010-01-28 2010-03-03 10:04:19 by sanshi9605
    【求助】如何在Fedora 8下安装g95软件 1 (评阅+1) (8/455) lee-town 2010-02-21 2010-03-01 20:09:06 by 老虎大王
    【求助】molpro中bond function加大时出错 (评阅+1) (0/301) cr147369 2010-03-01 2010-03-01 13:37:31 by cr147369
    [其他] 【交流】提供一个计算交流群3044291 (评阅+1) (3/122) gain100 2009-03-16 2010-02-28 15:11:29 by gain100
    【求助】请教高手如何计算x值 (评阅+1) (3/603) b0_00 2010-02-17 2010-02-27 23:06:13 by fspdlh
    [其他] 【讨论】计算材料学 就业 (评阅+1) (9/1519) freshman8185 2009-11-01 2010-02-27 18:39:00 by dellon9960
    【求助】真诚求助分子动力学模拟 (评阅+1) (0/366) 阳蛋妈 2010-02-21 2010-02-21 06:13:26 by 阳蛋妈
    [其他] 【分享】多尺度模拟 Multiscale modeling (评阅+3) (2/563) tianlangxingaa 2010-02-07 2010-02-19 11:18:09 by fly771125
    【震惊】用一个特殊的蛋白质来计算最佳的能量传递路径 (评阅+3) (2/336) yjcmwgk 2010-02-18 2010-02-19 10:52:44 by 鱼妃
    [版务] 【原创】二零一零年2月版主值日签到 (5/405) fegg7502 2010-02-05 2010-02-18 03:25:24 by luoqiquan
    [其他] 【其它】祝大家新年快乐!!!!! (评阅+3) (6/435) tianlangxingaa 2010-02-14 2010-02-15 15:34:27 by luoqiquan
    [其他] 【新年大红包】回顾09年,展望10年,说出你的心愿!留下你的祝福!    ( 1 2 3 4 5 ) (评阅+20) (45/1767) cadick 2009-12-24 2010-02-14 21:45:40 by 南方嘉木896
    [其他] 【求助】克贝尔公式 5 (评阅+1) (0/211) gemin2008 2010-02-12 2010-02-12 04:47:00 by gemin2008
    【讨论】如何用分子轨道理论理解闭窍层之间的作用 (评阅+2) (0/327) tiechong 2010-02-12 2010-02-12 03:12:07 by tiechong
    [资源共享] 【分享】QSAR OECD Guidance Document (5/705) hongchen973 2009-03-16 2010-02-11 11:04:27 by caikeying
    【求助】要模拟红外谱图需要什么数据做图 3 (评阅+1) (4/470) fzdsong 2010-01-14 2010-02-11 10:35:07 by 王小一
    【求助】怎么用Monte-Carlo求算摩尔体积 3 (评阅+1) (6/679) linquham 2010-01-20 2010-02-10 14:28:24 by snoopyzhao
    [资源共享] 【分享】gamess的最新的说明书 (9/736) loovfnd 2009-02-14 2010-02-10 06:26:07 by cadick
    【分享】高分子模拟 (评阅+3) (1/323) tianlangxingaa 2010-02-07 2010-02-09 20:51:42 by tianlangxingaa
    [资源共享] 精华III【分享】EMUCH首发Molecular Simulation of Fluids (13/1157) yahoohoo 2009-01-18 2010-02-08 09:00:37 by mingdong
    [资源共享] 精华I【分享】量子化学_基本原理和从头计算法题解 (19/1698) qingliniao 2009-04-13 2010-02-08 09:00:19 by 张佩佩
    [资源共享] 精华III【分享】New Trends in Quantum Systems in Chemistry and Physics (25/1547) qingliniao 2009-04-15 2010-02-08 09:00:11 by mingdong
    [资源共享] 【原创】May 27 Fragment Based Design with MCSS discovery studio 视频教程 (7/468) qixingbao07 2009-06-10 2010-02-06 09:04:26 by luoqiquan
    [资源共享] 【分享】DS2.1最新升级包,附安装方法 (12/1159) guoyingnba 2009-04-27 2010-02-06 09:04:20 by luoqiquan
    [资源共享] 精华III【转帖】Molegro Virtual Docker and Molegro Data Modeller (7/1005) fegg7502 2009-12-06 2010-02-06 09:04:14 by luoqiquan
    [资源共享] 【转帖】分子动力学入门经典收藏 (1/594) fegg7502 2009-12-07 2010-02-06 09:03:42 by luoqiquan
    [资源共享] 【分享】Protein Modeling: From Sequence to Structure (5/512) shuai1934 2009-03-28 2010-02-06 09:03:37 by luoqiquan
    【求助】有关CoMFA 1 (评阅+2) (0/284) mop 2010-02-05 2010-02-05 21:41:58 by mop
    [资源共享] 【原创分享】七本表面化学相关专著 (29/1653) zhyulin 2009-04-01 2010-02-05 09:12:36 by onejy
    [专家] 【讨论】如何判断共价键?——实验化学和理论化学的冲突    ( 1 2 3 4 ) (评阅+6) (34/2130) beefly 2009-10-26 2010-02-05 06:46:59 by Quan.
    [资源共享] 精华III【分享】Springer图书:Sets, Logic and Maths for Computing (4/550) roco 2009-07-13 2010-02-04 19:32:29 by luoqiquan
    [资源共享] 【分享】量子化学与从头算基本原理习题集 (14/793) flbwlx 2009-06-17 2010-02-04 19:32:09 by hzfish
    [其他] 【求助】软件失效率模型 5 (评阅+1) (1/237) protection 2010-02-04 2010-02-04 17:03:10 by protection
    [版务] [关贴]【讨论】【讨论】二零一零年1月版主值日签到    ( 1 2 3 4 ) (评阅+5) (32/1009) fegg7502 2010-01-01 2010-02-04 15:32:23 by luoqiquan
    【求助】荧光光谱计算求助 5 (评阅+3) (4/967) 20042004mf 2010-01-05 2010-02-04 00:22:27 by beefly
    【求助】EXcel (评阅+1) (5/441) fyw921 2009-11-10 2010-02-04 00:13:41 by liuxianlv
    【原创】难解的氢谱 3 (评阅+2) (1/264) liuyanzhu_79 2009-11-25 2010-02-04 00:12:03 by liuxianlv
    【求助】精确度与精密度计算软件 (评阅+1) (1/464) wanggang0504 2009-09-06 2010-02-03 16:39:55 by Glass_fish
    【求助】8个LED发光二极管向左或向右循环点亮? (评阅+1) (2/532) angelztl 2009-12-13 2010-02-03 16:35:52 by Glass_fish
    [资源共享] 【分享】[原创] 极具价值的师大计算课件 (14/1165) 雪狼乖乖 2009-04-25 2010-02-03 03:09:13 by cadick
    [资源共享] 精华III【原创】热容数据的Debye拟合 (25/2478) phasediagram 2009-12-13 2010-02-03 02:54:02 by cadick
    【求助】水汽通量计算 50 (评阅+2) (0/847) liuzf406 2010-02-03 2010-02-03 01:10:21 by liuzf406
    【求助】挤出机过程模拟 (评阅+1) (2/234) junergao 2010-01-13 2010-02-02 22:16:31 by sunysky
    [资源共享] 【求助】求助好的Excel画图视频教程 5 (评阅+1) (5/540) kangkang8850 2010-01-12 2010-02-02 18:26:08 by zhbsky
    【分享】64位的XP (17/994) anhui_dali 2010-01-25 2010-01-29 20:14:26 by awmc2008
    [其他] 【求助】如何求取或表达多种实验数据之间的关系 10 (评阅+2) (0/225) iwanttocry 2010-01-29 2010-01-29 14:49:06 by iwanttocry
    [资源共享] 【分享】[Springer 2005] Hyperspectral Data Compression (6/598) Justsoso 2009-05-26 2010-01-29 08:51:11 by fegg7502
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