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[热点] 26申博（荧光探针方向，有机合成） Molecular123 2026-01-13 刚刚
Lectures for Gaussian[ebook] (6/389) tobyjerry 2007-12-22 2009-06-13 21:47:24 by fox-fox
量子化学计算程序gaussian98下载 (3/758) terry_well 2007-12-25 2009-06-13 21:47:16 by 小红豆
计算化学中常用赝势机组 (评阅+3) (1/306) lizhfe2003 2007-12-26 2009-06-13 21:47:08 by suntao1982
namd讨论主题namd的培训资料 (5/249) wangwei116101 2007-12-30 2009-06-13 21:46:59 by xiao2008zhu
GROMACS Tutorial for Drug – Enzyme Complex (10/721) yishen 2007-12-28 2009-06-13 21:46:49 by jyki
B-factor 衡量..... (评阅+1) (1/303) 香薷谷 2008-01-04 2009-06-13 21:46:21 by wjmed
Gaussian03使用说明（英文版） (8/936) zzgyb 2008-01-04 2009-06-13 21:46:12 by Jldbaobei
Gaussian 98 Installation Instructions for Linux (9/517) zzgyb 2008-01-04 2009-06-13 21:45:59 by frankdove
【经典】vasp培训资料大全（包含台湾培训内容）    ( 1 2 ) (67/8466) csfn 2007-12-03 2009-06-13 21:45:20 by cup.qzu
精华I:  [关贴]【包你入门】vasp入门宝典+处理结果程序+实例    ( 1 2 ) (84/14596) csfn 2007-12-03 2009-06-13 21:45:00 by wuli8
VASP赝势文件POTCAR详解 【转载】 (8/865) y1ding 2008-01-11 2009-06-13 21:44:28 by wcwang
VASP中文讲义配套例程及实用下程序源码 (21/1881) idoldog 2008-03-25 2009-06-13 21:43:21 by zdhlover
[求助]g03 d02 安装问题    ( 1 2 3 ) (20/1421) xiaxue_121 2008-01-15 2009-06-13 21:43:21 by xiaxue_121
[分享]VASP中文讲义Hand-On (27/1668) idoldog 2008-03-25 2009-06-13 21:43:12 by 心宁
精华I:  【资源】VASP中文教程讲义    ( 1 2 ) (67/6043) idoldog 2008-03-25 2009-06-13 21:42:58 by tjpm
分子动力学电子书 (13/1303) hufeng 2007-10-14 2009-06-13 21:42:42 by heyongyao
弱问:在gaussview中怎样把两个环共平面 (3/742) sllmnls 2008-01-13 2009-06-13 21:42:35 by lywhit
呵呵，先上两盘QSAR老菜：有机结构体积的加合性 (13/2189) yalefield 2007-11-10 2009-06-13 21:42:34 by pollyan
中国科学院研究生院博士论文 (48/4139) miaochangqing 2007-11-22 2009-06-13 21:42:05 by 张文艳
[分享]VASP中文教程PPT (28/2654) idoldog 2008-03-25 2009-06-13 21:42:04 by xiaoaosky
以第一原理探讨氮化铝镓铟能带结构特性（国立彰化师范大学毕业论文） (13/1009) zzgyb 2007-11-23 2009-06-13 21:41:56 by linldq
NAMD,VMD常用技巧 (14/3465) csfn 2007-12-04 2009-06-13 21:41:45 by Duma
【共享】一篇很好的LDA+U的Review (5/868) zhougc 2008-03-24 2009-06-13 21:41:39 by sun1689688
Introduction to Macromolecular Simulation (评阅+4) (1/386) childsliu 2007-12-05 2009-06-13 21:41:35 by yuanchang
Introduction to Ab Initio Molecular Dynamics (评阅+5) (2/391) childsliu 2007-12-05 2009-06-13 21:41:26 by spur
计算模拟在生物大分子结构功能研究中的应用！ (评阅+10) (3/935) itismineok 2007-12-05 2009-06-13 21:41:06 by snowgary
启发式算法与遗传算法 (3/654) 阳光不锈钢 2007-12-06 2009-06-13 21:40:58 by njut007
共享:Molecular dynamics simulations in rational protein design (5/313) xkw2005 2007-12-06 2009-06-13 21:40:50 by fox-fox
VASP软件方法有用知识之一 (4/875) ghzhong 2008-05-05 2009-06-13 21:40:33 by 灯塔守望者
珍藏的一些分子模拟方面的资料 (15/1561) 追风16 2007-12-07 2009-06-13 21:40:32 by jyki
【共享】vasp软件下载 (42/21647) q68 2008-05-11 2009-06-13 21:40:23 by liliracial
Classical Molecular Dynamics (8/595) childsliu 2007-12-07 2009-06-13 21:40:18 by honghuzlj
MedeA的帮助文件 (9/600) moueor 2008-04-17 2009-06-13 21:39:48 by fegg7502
CHGCAR三维图的做法（于ms中实现） (13/1569) csfn 2008-05-16 2009-06-13 21:39:03 by anvier
【转载一个VASP例子】 (评阅+2) (2/770) y1ding 2008-06-03 2009-06-13 21:38:34 by wyl04
[原创]vasp老家的系统教程与示例打包下载 (17/1417) abinitio 2008-06-03 2009-06-13 21:38:14 by liliracial
化学动力学模拟软件 (6/567) lihai0910 2007-08-17 2009-06-13 21:37:00 by fox-fox
分子动力学模拟软件gromacs的安装流程 (13/738) homeboyzb 2007-08-21 2009-06-13 21:36:52 by childsliu
第一原理分子动力学讲义 (21/1741) wuliyangjianyu 2007-08-30 2009-06-13 21:36:43 by xjping
MD(分子动力学的一本好书) (6/925) hufeng 2007-09-29 2009-06-13 21:36:32 by 杞实很简单
【求助】计算出错了 (4/603) 学员5dMass 2008-03-10 2009-06-13 21:36:29 by gaochao85
sybyl7.3(D) 环境变量的配置    ( 1 2 ) (评阅+6) (金币≥10)(14/352) shiyi09 2007-09-17 2009-06-13 21:36:24 by samtyty
关于NEB过渡态搜索的资料 (5/749) moueor 2008-03-07 2009-06-13 21:36:02 by huahua9700
另外一个MD(Molecular Dynamics)的资料 (1/436) hufeng 2007-09-29 2009-06-13 21:35:57 by jdlongbing
【分享】ME的最新版本资料 (8/610) moueor 2008-11-25 2009-06-13 21:35:25 by lei0736
推荐：GaussView高级技巧 (7/1528) 小红豆 2007-10-24 2009-06-13 21:33:06 by 寻梦人
绿色Gaussian03共享 (44/4247) zyf200320 2007-11-12 2009-06-13 21:32:56 by chiraler
Gaussian03学习笔记 (20/1378) miaochangqing 2007-11-17 2009-06-13 21:32:47 by workerhuo
Gaussian中IOP的使用简介 (1/298) miaochangqing 2007-11-17 2009-06-13 21:32:38 by 小红豆
有关gaussian应用的一些理论与经验 (46/4578) miaochangqing 2007-11-23 2009-06-13 21:32:31 by Quan.
g03 d02 (15/820) shalene 2007-12-03 2009-06-13 21:32:20 by ggdh
G98W程序使用入门.pdf (24/1457) moonwolf 2007-12-03 2009-06-13 21:32:12 by pdsyao
gauss03操作手册中文版，非常有用 (12/1881) tdlnjohn 2007-12-04 2009-06-13 21:32:03 by tyl681108
精华II:  Guassian基本概念和用法 Gaussian计算流程 (18/4639) zzgyb 2007-12-04 2009-06-13 21:31:54 by zsh7581755
精华III:  关于虚频的一个简单的理解 (20/3428) zzgyb 2007-12-04 2009-06-13 21:31:42 by wanlichuan
gaussview的使用的部分例子 (29/3193) zzgyb 2007-12-05 2009-06-13 21:31:34 by pollyan
用gaussion 研究化学问题 (5/668) suntao1982 2007-07-24 2009-06-13 21:26:30 by linda358
GaussView3.1 Help_英文版 (5/402) zzgyb 2007-09-21 2009-06-13 21:26:22 by frankdove
Gaussian常见问题分析 (6/574) lihai0910 2007-09-23 2009-06-13 21:26:13 by linda358
高斯从头算简介 (7/845) suhang 2007-09-29 2009-06-13 21:26:04 by jdlongbing
高斯热力学 (11/838) hufeng 2007-10-17 2009-06-13 21:25:50 by ly958
关于基组出处的文献 (5/500) hufeng 2007-10-17 2009-06-13 21:25:40 by fengyidai
makefile文件，应 wuchenwf的要求 (5/487) fegg7502 2008-03-18 2009-06-13 21:23:07 by zhangwj908
VASP计算前的验证 (31/2842) fegg7502 2008-03-10 2009-06-13 21:22:51 by hml896
Gview对称性小技巧 (8/1120) robertpeter2005 2007-07-18 2009-06-13 21:22:38 by spring965
VASP第一原理电子结构计算程序80页的ppt (42/4655) zzgyb 2008-01-27 2009-06-13 21:22:29 by gaoxiaozhen918
Ab initio calculation by gaussian    ( 1 2 3 ) (+4) (评阅+2) (22/1867) robertpeter2005 2007-07-18 2009-06-13 21:22:28 by huahua9700
gaosi 常见问题（适用于初级） (4/960) robertpeter2005 2007-07-16 2009-06-13 21:22:15 by 小红豆
初学VASP(一) what's it? (26/5412) zzgyb 2008-01-27 2009-06-13 21:22:10 by sunyukui
非共线磁矩计算 (2/349) csfn 2008-01-27 2009-06-13 21:20:52 by tuancu
VASP和castep的比较 (11/2853) csfn 2008-01-18 2009-06-13 21:20:07 by fegg7502
MedeA——Vasp for Windows    ( 1 2 ) (评阅+5) (16/3501) moueor 2008-01-07 2009-06-13 21:19:55 by lwjonly
vasp画态密度的shell:split_dos (13/2054) zhuly 2008-01-01 2009-06-13 21:19:42 by Jermysmart
【vasp安装】pgi及intel编译方法 (6/2126) csfn 2007-12-07 2009-06-13 21:19:24 by gingseng168
【liunx下看原子图像】molden软件及教程 (10/1786) csfn 2007-12-04 2009-06-13 21:17:37 by cuihang
MaterialsStudio 4.1的WINDOWS&UNIX全版光盘，10M宽带做种2天更新UNIX (28/3419) vegalew 2008-01-04 2009-06-13 17:20:19 by kanminbad
Materials Studio初级入门 (14/1568) 222222 2007-12-10 2009-06-13 17:20:12 by maguangyao
分子模拟文件的转换软件！好用且免费！ (6/980) dxli75 2008-02-24 2009-06-13 17:20:06 by lizhfe2003
量化与QSAR/QSPR (21/2421) yalefield 2007-10-19 2009-06-13 17:19:59 by njut007
应cationly 需要上传Materials_Studio_v2.21 (3/568) xzhdty 2007-10-24 2009-06-13 17:19:43 by 小红豆
精华I:  【讨论】关于费米能级问题    ( 1 2 3 ) (28/5764) nanoeer 2007-11-01 2009-06-13 17:19:27 by wanghongbo0808
重新发布CASTEP-实战策略 (13/1345) 分子科学学报编� 2007-12-17 2009-06-13 17:17:23 by xmc8362
CASTEP-实战策略 (6/900) 分子科学学报编� 2007-12-16 2009-06-13 17:16:55 by 604gq
Materials studio 教程    ( 1 2 ) (评阅+2) (金币≥1)(13/1044) happy030116 2008-04-18 2009-06-13 17:14:12 by righthere
MS4.3发布会资料 (7/702) zongyan 2008-05-15 2009-06-13 17:13:58 by csfn
Materials Studio帮助文件翻译 (评阅+2) (8/1274) roplan 2008-04-28 2009-06-13 17:13:51 by polyoxometalate
麻省理工分子动力学讲义ppt (评阅+1) (3/829) 066040223 2008-06-18 2009-06-13 17:13:32 by aylayl08
三篇castep的文献 (19/1964) jdlongbing 2007-12-15 2009-06-13 17:13:24 by joe350
【讨论】关于如何建立晶体结构的讨论    ( 1 2 ) (19/2232) sunmuer 2008-04-11 2009-06-13 17:12:54 by spur
巧用MS Licence (9/1378) daniel2001 2008-06-06 2009-06-13 17:12:52 by 今天来灌水
晶体软件 (14/1213) 066040223 2008-06-30 2009-06-13 17:12:47 by 066040223
MS问题解决大全 (1/531) qktscdx 2008-07-03 2009-06-13 17:12:44 by aylayl08
【交流】linux版MS没有安装成功的安装说明和安装过程 (评阅+5) (5/809) 古巨风 2008-07-10 2009-06-13 17:12:02 by wuli8
【原创】Materials Studio单机进行计算时GATEWAY(网关)出现问题的解决办法 (9/1850) 古巨风 2008-06-23 2009-06-13 17:11:45 by SRnH
几篇国内应用MS模拟的文献 (10/1611) cup_lee 2008-06-08 2009-06-13 17:11:14 by 糊涂人
【分享】mesodyn and DPD相关文献 (4/496) index2008 2008-07-27 2009-06-13 17:11:09 by index2008
重新上传Accelrys Materials Studio 4.1 (38/4733) xzhdty 2007-10-26 2009-06-13 17:05:10 by baiweidong
MS问题解决大全    ( 1 2 ) (51/4872) zzgyb 2007-12-13 2009-06-13 17:05:04 by chengshuang2178
material studio 中文版帮助手册 (10/1319) yangkunspace 2008-02-27 2009-06-13 17:04:57 by NKDMS
【资源】MS的画能带图工具 (33/6868) watermall 2008-05-29 2009-06-13 17:04:42 by zq07047065
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