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    [热点] 论文投稿，期刊推荐 中原小帕菜 2025-12-06 刚刚
    Lectures for Gaussian[ebook] (6/386) tobyjerry 2007-12-22 2009-06-13 21:47:24 by fox-fox
    量子化学计算程序gaussian98下载 (3/744) 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) (1/298) 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 (10/711) yishen 2007-12-28 2009-06-13 21:46:49 by jyki
    B-factor 衡量..... (评阅+1) (1/291) 香薷谷 2008-01-04 2009-06-13 21:46:21 by wjmed
    Gaussian03使用说明（英文版） (8/900) zzgyb 2008-01-04 2009-06-13 21:46:12 by Jldbaobei
    Gaussian 98 Installation Instructions for Linux (9/484) 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 ) (67/8205) 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 ) (84/14258) 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 (21/1838) idoldog 2008-03-25 2009-06-13 21:43:21 by zdhlover
    [求助]g03 d02 安装问题    ( 1 2 3 ) (20/1403) xiaxue_121 2008-01-15 2009-06-13 21:43:21 by xiaxue_121
    [分享]VASP中文讲义Hand-On (27/1638) 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 ) (67/5863) idoldog 2008-03-25 2009-06-13 21:42:58 by tjpm
    分子动力学电子书 (13/1290) 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 (3/720) 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 (13/2155) 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 (48/4083) miaochangqing 2007-11-22 2009-06-13 21:42:05 by 张文艳
    [分享]VASP中文教程PPT (28/2609) 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） (13/1002) zzgyb 2007-11-23 2009-06-13 21:41:56 by linldq
    NAMD,VMD常用技巧 (14/3403) csfn 2007-12-04 2009-06-13 21:41:45 by Duma
    【共享】一篇很好的LDA+U的Review (5/847) zhougc 2008-03-24 2009-06-13 21:41:39 by sun1689688
    Introduction to Macromolecular Simulation (评阅+4) (1/382) childsliu 2007-12-05 2009-06-13 21:41:35 by yuanchang
    Introduction to Ab Initio Molecular Dynamics (评阅+5) (2/386) 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) (3/903) itismineok 2007-12-05 2009-06-13 21:41:06 by snowgary
    启发式算法与遗传算法 (3/642) 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 (5/308) xkw2005 2007-12-06 2009-06-13 21:40:50 by fox-fox
    VASP软件方法有用知识之一 (4/859) 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 (15/1550) 追风16 2007-12-07 2009-06-13 21:40:32 by jyki
    【共享】vasp软件下载 (42/21523) q68 2008-05-11 2009-06-13 21:40:23 by liliracial
    Classical Molecular Dynamics (8/584) childsliu 2007-12-07 2009-06-13 21:40:18 by honghuzlj
    MedeA的帮助文件 (9/594) moueor 2008-04-17 2009-06-13 21:39:48 by fegg7502
    CHGCAR三维图的做法（于ms中实现） (13/1508) csfn 2008-05-16 2009-06-13 21:39:03 by anvier
    【转载一个VASP例子】 (评阅+2) (2/755) 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 (17/1392) 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 (21/1696) wuliyangjianyu 2007-08-30 2009-06-13 21:36:43 by xjping
    MD(分子动力学的一本好书) (6/921) hufeng 2007-09-29 2009-06-13 21:36:32 by 杞实很简单
    【求助】计算出错了 (4/595) 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 (5/728) moueor 2008-03-07 2009-06-13 21:36:02 by huahua9700
    另外一个MD(Molecular Dynamics)的资料 (1/432) hufeng 2007-09-29 2009-06-13 21:35:57 by jdlongbing
    【分享】ME的最新版本资料 (8/607) moueor 2008-11-25 2009-06-13 21:35:25 by lei0736
    推荐：GaussView高级技巧 (7/1502) 小红豆 2007-10-24 2009-06-13 21:33:06 by 寻梦人
    绿色Gaussian03共享 (44/4184) 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 (1/293) 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 (46/4429) 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 (24/1405) moonwolf 2007-12-03 2009-06-13 21:32:12 by pdsyao
    gauss03操作手册中文版，非常有用 (12/1853) 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 (18/4602) 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 (20/3374) zzgyb 2007-12-04 2009-06-13 21:31:42 by wanlichuan
    gaussview的使用的部分例子 (29/3122) zzgyb 2007-12-05 2009-06-13 21:31:34 by pollyan
    用gaussion 研究化学问题 (5/659) suntao1982 2007-07-24 2009-06-13 21:26:30 by linda358
    GaussView3.1 Help_英文版 (5/395) zzgyb 2007-09-21 2009-06-13 21:26:22 by frankdove
    Gaussian常见问题分析 (6/554) lihai0910 2007-09-23 2009-06-13 21:26:13 by linda358
    高斯从头算简介 (7/833) suhang 2007-09-29 2009-06-13 21:26:04 by jdlongbing
    高斯热力学 (11/827) hufeng 2007-10-17 2009-06-13 21:25:50 by ly958
    关于基组出处的文献 (5/493) hufeng 2007-10-17 2009-06-13 21:25:40 by fengyidai
    makefile文件，应 wuchenwf的要求 (5/476) fegg7502 2008-03-18 2009-06-13 21:23:07 by zhangwj908
    VASP计算前的验证 (31/2774) fegg7502 2008-03-10 2009-06-13 21:22:51 by hml896
    Gview对称性小技巧 (8/1107) 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 (42/4508) zzgyb 2008-01-27 2009-06-13 21:22:29 by gaoxiaozhen918
    Ab initio calculation by gaussian    ( 1 2 3 ) (+4) (评阅+2) (22/1829) robertpeter2005 2007-07-18 2009-06-13 21:22:28 by huahua9700
    gaosi 常见问题（适用于初级） (4/952) robertpeter2005 2007-07-16 2009-06-13 21:22:15 by 小红豆
    初学VASP(一) what's it? (26/5292) zzgyb 2008-01-27 2009-06-13 21:22:10 by sunyukui
    非共线磁矩计算 (2/340) csfn 2008-01-27 2009-06-13 21:20:52 by tuancu
    VASP和castep的比较 (11/2739) csfn 2008-01-18 2009-06-13 21:20:07 by fegg7502
    MedeA——Vasp for Windows    ( 1 2 ) (评阅+5) (16/3417) moueor 2008-01-07 2009-06-13 21:19:55 by lwjonly
    vasp画态密度的shell:split_dos (13/2015) zhuly 2008-01-01 2009-06-13 21:19:42 by Jermysmart
    【vasp安装】pgi及intel编译方法 (6/2071) 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 (10/1765) 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 (28/3302) vegalew 2008-01-04 2009-06-13 17:20:19 by kanminbad
    Materials Studio初级入门 (14/1535) 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！ (6/960) dxli75 2008-02-24 2009-06-13 17:20:06 by lizhfe2003
    量化与QSAR/QSPR (21/2351) yalefield 2007-10-19 2009-06-13 17:19:59 by njut007
    应cationly 需要上传Materials_Studio_v2.21 (3/557) 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 ) (28/5680) nanoeer 2007-11-01 2009-06-13 17:19:27 by wanghongbo0808
    重新发布CASTEP-实战策略 (13/1315) 分子科学学报编� 2007-12-17 2009-06-13 17:17:23 by xmc8362
    CASTEP-实战策略 (6/874) 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 (7/698) zongyan 2008-05-15 2009-06-13 17:13:58 by csfn
    Materials Studio帮助文件翻译 (评阅+2) (8/1245) 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) (3/816) 066040223 2008-06-18 2009-06-13 17:13:32 by aylayl08
    三篇castep的文献 (19/1881) 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 ) (19/2205) sunmuer 2008-04-11 2009-06-13 17:12:54 by spur
    巧用MS Licence (9/1342) daniel2001 2008-06-06 2009-06-13 17:12:52 by 今天来灌水
    晶体软件 (14/1185) 066040223 2008-06-30 2009-06-13 17:12:47 by 066040223
    MS问题解决大全 (1/511) 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) (5/786) 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 (9/1813) 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 (10/1600) cup_lee 2008-06-08 2009-06-13 17:11:14 by 糊涂人
    【分享】mesodyn and DPD相关文献 (4/487) index2008 2008-07-27 2009-06-13 17:11:09 by index2008
    重新上传Accelrys Materials Studio 4.1 (38/4645) xzhdty 2007-10-26 2009-06-13 17:05:10 by baiweidong
    MS问题解决大全    ( 1 2 ) (51/4761) 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 (33/6470) watermall 2008-05-29 2009-06-13 17:04:42 by zq07047065
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