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    [热点] 天津工业大学郑柳春团队欢迎化学化工、高分子化学或有机合成方向的博士生和硕士生加入 hubeizlc 2025-12-06 刚刚
    【求助】半导体材料模拟(材料模拟,第一性原理,势方面) (4/625) xiaohunhun 2009-03-02 2009-06-17 12:46:34 by wuli8
    [资源共享] 【理论化学】推荐本好书韩克利老师的《势能面与分子碰撞理论》 (5/1036) madonion 2009-03-17 2009-06-17 12:45:44 by Derchief
    【求助】请问谁会在浪潮服务器上交作业? (5/830) stewart1922 2009-03-23 2009-06-17 12:43:03 by sukhoiking
    [其他] 【求助】这个电荷密度图和等高线图是怎么画的 10 (3/603) zlf412 2009-04-16 2009-06-17 12:38:35 by wuli8
    [其他] 【求助】计算化学类的文章投哪个杂志? (9/818) whongj 2009-05-06 2009-06-17 12:32:05 by wuli8
    [其他] 【求助】麻烦各位牛人介绍一下计算化学的概况 (3/327) luqing6879 2009-05-11 2009-06-17 12:30:51 by xiaofen
    [资源共享] 【分享】不可压缩粘性流场计算方法 (2/190) ljtask 2009-05-27 2009-06-17 12:22:49 by wuli8
    [其他] 【原创】做模拟计算的人咋这么尴尬呢!    ( 1 2 ) (评阅+5) (16/928) tfl03 2009-06-05 2009-06-17 12:20:46 by haixing2008
    [招聘&会 ] 【分享】2009第八届中国国际纳米科技(湘潭)研讨会 (3/348) wuli8 2009-06-17 2009-06-17 12:06:12 by q68
    [其他] 【求助】方程离散 (0/147) lshuihui62 2009-06-16 2009-06-16 20:24:26 by lshuihui62
    【求助】SnAgCu不同温度下的材料参数 20 (0/117) simon1226 2009-06-16 2009-06-16 19:43:51 by simon1226
    [资源共享] 【求助】哪位大侠知道V.R. Saunders, ATMOL-SCF Program?【已解决】 (4/257) maomao1210 2009-03-15 2009-06-16 12:57:06 by maomao1210
    【资源】DPD超级大牛Rob Groot关于表面活性剂本月报告 (11/1229) 古巨风 2008-07-31 2009-06-16 11:44:26 by 董桂馥
    [资源共享] HMO和量子化学半经验方法简介 (7/745) dongping001 2007-12-10 2009-06-14 17:50:02 by liboyang
    [资源共享] 常用化学软件综述篇--经典再现 (8/687) jie007 2007-12-10 2009-06-14 17:47:16 by carlon
    [资源共享] 很系统、全面、而又有一定深度的密度泛函理论学习资料! (8/1350) Li-Jun_Zhang 2008-04-06 2009-06-14 17:46:54 by cup.qzu
    [资源共享] 好书分享:Handbook of Computational Quantum Chemistry (11/1186) 学员2bQ2PZ 2008-01-06 2009-06-14 17:45:59 by xmc8362
    [资源共享] 现代数值模拟方法及其应用(浙大课件) (24/817) xfys8292 2008-06-13 2009-06-14 17:43:22 by sunxiaolong
    [资源共享] 精华I【ppt】电子结构计算与应用研讨会(已全部上传) (25/1976) csfn 2007-12-10 2009-06-14 17:41:11 by dali2006
    [资源共享] 上海交通大学研究生计算物理课程资料 (25/2079) lvzhu2007 2008-02-24 2009-06-14 17:40:45 by 穷学生
    [资源共享] 分子模拟-从算法到应用(2002)推荐一本好书,希望对大家有用! (25/2154) hf6391964 2007-12-22 2009-06-14 17:40:18 by yuhui234
    [资源共享] 精华III【分享】各种原子轨道成键,杂化原子轨道的图示 (15/1928) zzgyb 2008-01-04 2009-06-14 17:39:49 by jyang007
    [资源共享] 【分享】经典DFT在计算模拟(尤其催化)中的应用 (46/3003) dwma 2008-07-13 2009-06-14 17:39:20 by oldpig
    [资源共享] 【分享】给作计算化学研究的虫虫:量子化学教程 (33/2269) lvzhu2007 2008-03-17 2009-06-14 17:38:52 by quantumor
    [资源共享] 【入门】密度泛函理论计算的2个中文版综叙文章 (20/2826) csfn 2007-12-03 2009-06-14 17:38:20 by kuner
    [资源共享] 【分享】计算化学及其应用初级教程转载 (21/2331) lcb411 2007-12-09 2009-06-14 17:37:27 by laigei
    [资源共享] 【分享】VASP 4.6.28下载 (24/14261) cuihang 2008-05-20 2009-06-14 17:36:12 by jyki
    [资源共享] 【北京大学研究生课程讲义】纳米结构电子理论及计算 (41/3007) zzgyb 2007-11-27 2009-06-14 17:34:47 by bb00729
    [资源共享] 【分享】给大家分享两本指导论文写作的电子书    ( 1 2 ) (86/2478) wxjbuilder 2008-07-18 2009-06-14 17:34:26 by jyki
    [资源共享] 最新2008年6月刚出炉的sci影响因子 (38/2598) tangsw911 2008-06-18 2009-06-14 17:32:51 by palley
    [资源共享] 手把手教你使用Materials Explorer (22/5261) csfn 2007-12-21 2009-06-14 17:32:32 by yyx19840628
    [资源共享] [专家] 【分享】Molecular Operating Environment v2007.09下载    ( 1 2 3 ) (评阅+5) (27/3047) beefly 2008-11-23 2009-06-14 17:31:56 by xufund
    [资源共享] 精华I【分享】Reviews in Computational Chemistry(已经有人把所有的都发布了,更新)    ( 1 2 3 ) (100/6125) dnp 2008-03-27 2009-06-14 17:31:17 by jyki
    [资源共享] 精华II北京师范大学计算化学讲义    ( 1 2 ) (60/3885) amos0711 2007-12-04 2009-06-14 17:30:57 by liuying287
    [资源共享] 精华III【版主推荐】Electronic Structure: Basic Theory and Practical Methods    ( 1 2 ) (97/2441) suntao1982 2007-11-30 2009-06-14 17:30:17 by cbFeng200881
    [资源共享] 【分享】中国人写英文文章最常范的错误总结(免费下载,转)    ( 1 2 3 4 ) (153/5500) wuli8 2008-09-22 2009-06-14 17:29:39 by ldyldy
    [资源共享] 精华I计算机模拟(计算机模拟方法书籍)    ( 1 2 3 4 5 6 ) (250/11441) zcphenix 2007-12-13 2009-06-14 17:27:38 by kiki的coco
    [资源共享] 精华II[关贴]分子模拟的电子书及讲义(链接已经失效,等待重新上传)    ( 1 2 3 4 ) (180/86424) lei0736 2008-03-05 2009-06-14 17:27:20 by pollyan
    aspen11.1英文讲义 (3/171) hanyong320 2007-12-12 2009-06-14 13:20:50 by firehot
    粒子群算法(附VB算法) (6/1114) 虫侠 2007-12-07 2009-06-14 13:20:13 by shenjianxiandao
    Computational Chemistry_A Practical Guide for Applying Techniques (4/394) zhongyesheng 2007-12-03 2009-06-14 13:19:30 by fox-fox
    化工版“计算机模拟”的活动及资源    ( 1 2 ) (评阅+8) (10/554) darliu 2007-12-03 2009-06-14 13:18:09 by yjqqliu
    精华II【转】Comsol化工计算教程+应用全收录,http下载 (5/832) hbcnwatson 2007-12-11 2009-06-14 13:17:35 by huanglin02
    ASPEN的物性数据 (5/796) 虫侠 2007-12-10 2009-06-14 13:16:08 by huanglin02
    计算机化学及化学软件网站大全 (7/1273) aust200413320 2008-04-02 2009-06-14 13:15:38 by jlcuit
    化工版贺礼:化工计算方面的资源(部分) (5/1297) darliu 2007-12-03 2009-06-14 13:15:08 by 小红豆
    1984,中国科学的寒冬——国产量子化学程序覆灭记    ( 1 2 ) (评阅+4) (16/2210) coolrainbow 2008-09-08 2009-06-14 13:14:45 by haode22
    【分享】化学动力学模拟软件【已搜索无重复】 (7/1199) joy211087 2008-01-27 2009-06-14 13:14:04 by qiqi7883
    ASPEN操作实例——Process Design Project(PPT) (6/907) 虫侠 2007-12-07 2009-06-14 13:13:23 by ldld76
    [其他] 【讨论】寻求合作开发代谢组学数据分析处理软件 (0/145) yumingyang 2009-06-14 2009-06-14 11:45:39 by yumingyang
    关于QSAR原理的书籍 (6/1048) yalefield 2008-10-04 2009-06-14 10:22:05 by yalefield
    [其他] [关贴]****************** (2/231) easp 2008-12-22 2009-06-14 08:53:53 by wuli8
    使用AspenPlus进行流程模拟 (12/1843) quguohua 2007-07-22 2009-06-14 08:21:23 by panyb15715
    【原创】一步一步教你建立Materials Studio计算机工作组 (25/3679) gkd_0000 2007-11-22 2009-06-14 08:19:31 by effi903
    【分享】计算机化学及化学软件网站大全 (20/2837) gaofengccri 2007-12-08 2009-06-14 08:18:48 by fansw1129
    Density Functional Theory 的好书 (14/2021) brilliant 2007-12-20 2009-06-14 08:15:09 by zhougc
    精华I【分享】l量子化学计算中的开壳层和闭壳层概念 (16/2718) zzgyb 2007-12-05 2009-06-14 08:10:40 by 小不点点
    精华III分子的电子结构理论中从头算方法的进展 (31/2022) zzgyb 2007-11-27 2009-06-14 08:10:21 by dolphin618
    [资源共享] 精华I【分享】Reviews in Computational Chemistry (四)volume 16-20    ( 1 2 ) (66/4875) lihb734 2008-12-20 2009-06-14 08:09:30 by fegg7502
    [资源共享] 精华I【分享】Reviews in Computational Chemistry (二)volume 6-10    ( 1 2 ) (77/5727) lihb734 2008-12-20 2009-06-14 08:07:55 by fegg7502
    【分享】辛苦首创:利用Gaussview作出漂亮的静电势图^-^ (39/5602) jyzhao1981 2008-06-07 2009-06-14 08:07:22 by bingyi3
    【分享】HyperChem基本操作    ( 1 2 ) (53/7680) zzgyb 2008-01-02 2009-06-14 08:05:50 by dralexandero
    [其他] 【求助】gview问题 (3/253) musterants 2009-06-11 2009-06-13 23:40:19 by zeoliters
    [其他] 【求助】50金币求NCI diversity set (2000小分子那个库) (5/395) guoyingnba 2009-02-18 2009-06-13 22:22:40 by lei0736
    [其他] 【求助】请问有用过ligplot的么?一起交流下!    ( 1 2 ) (18/1320) guoyingnba 2008-12-17 2009-06-13 22:19:24 by lei0736
    [资源共享] 【分享】Thermodynamics and Fluctuations far from Equilibrium (5/508) childsliu 2008-12-06 2009-06-13 22:17:30 by lei0736
    去掉GaussView启动警告窗口的完整解决方案 (13/1226) zzgyb 2008-04-18 2009-06-13 22:15:31 by zhangji3013
    Gaussian03在上海超级计算中心曙光4000A机群上的安装过程 (评阅+3) (1/422) zuoyinglin 2008-04-22 2009-06-13 22:15:21 by hbinjm
    高斯使用指南 458页 (33/2885) zuoyinglin 2008-04-22 2009-06-13 22:15:12 by njwxs
    [资源共享] 【分享】TRIPOS.SYBYL8.0.200806patch下载 (15/1162) tjegg 2008-09-07 2009-06-13 22:15:03 by lei0736
    Guassian 2070# 错误    ( 1 2 ) 2 (评阅-2) (13/1156) ouyang223 2008-04-26 2009-06-13 22:15:03 by dongping001
    What's New in GaussView 4 (评阅+1) (1/187) xiaowandouer 2008-04-23 2009-06-13 22:14:26 by saitou
    【求助】How to run G03 Efficiently? Personal Experience (评阅+3) (2/312) abbott 2008-09-29 2009-06-13 22:13:22 by csfn
    【分享】高斯总结大全 (评阅+2) (1/307) yuan888 2008-10-20 2009-06-13 22:13:15 by csfn
    [关贴][求助]【经典】vasp培训资料大全(包含台湾培训内容) (7/820) lightgjx 2008-07-01 2009-06-13 22:02:58 by chzhmei
    [专家] 精华IIGaussian03W c.01版下载 (31/3941) beefly 2008-03-12 2009-06-13 21:59:56 by zhou2009
    【求助】求docking的免费软件    ( 1 2 ) (13/1730) shurongban 2008-11-15 2009-06-13 21:57:50 by lei0736
    【讨论交流】关于SYBYL中的CoMFA和CoMSIA (8/1446) fantastic 2009-02-26 2009-06-13 21:57:34 by lei0736
    【分享】Building VASP with MKL (2/335) 灯塔守望者 2008-11-06 2009-06-13 21:54:52 by realac
    gaussian中自恰场方程不能收敛问题的解决方法 (6/993) zzgyb 2008-01-27 2009-06-13 21:54:09 by xiaxue_121
    精华IIIgaussian中得到波函数文件的方法 (3/659) zzgyb 2008-01-27 2009-06-13 21:54:00 by linda358
    Gaussian程序频率计算中的注意问题 (15/1749) zzgyb 2008-01-27 2009-06-13 21:53:51 by tsihu
    精华III关于Windows版Gaussian频率计算时停电应急处理方法 (13/1416) zzgyb 2008-01-27 2009-06-13 21:53:40 by 王中学
    精华III计算中利用GaussView固定原子坐标、键角、二面角的方法 (42/4218) zzgyb 2008-01-27 2009-06-13 21:53:30 by cup.qzu
    Gaussian作者之一量化牛人的Pople的NOBLE演讲 (19/1388) coolrainbow 2008-01-16 2009-06-13 21:53:15 by abin21
    GaussView的一些使用技巧 (15/1536) knight1014 2008-01-17 2009-06-13 21:53:06 by 红枫叶688
    gaussian 03w扫势能面不连续的解决方法 (3/349) zzgyb 2008-01-27 2009-06-13 21:52:58 by haijunniu
    一些VASP非常有用的PPT (4/682) ghzhong 2008-05-05 2009-06-13 21:52:39 by wuli8
    Steven Bachrach的博客 (评阅+2) (3/443) tutu2000 2008-01-28 2009-06-13 21:52:39 by epson009
    guassian linux 版的英文说明书 (1/377) miaochangqing 2008-01-29 2009-06-13 21:52:27 by zzgyb
    Gaussian_03_ Manual 英文版 (1/233) catone 2008-01-29 2009-06-13 21:52:11 by catone
    转:Gaussian 03进行大分子并行计算的问题 (6/535) tutu2000 2008-01-30 2009-06-13 21:52:04 by zgzhang
    [原创][分享]加快WINDOWS下高斯03计算速度的一个好办法 (5/272) czyzsu 2008-01-30 2009-06-13 21:51:56 by hdh912
    精华IIIGaussian03操作与实例(二) (20/2891) zzgyb 2008-02-20 2009-06-13 21:51:37 by polyoxometalate
    精华IIIGaussian03操作与实例(一) (15/3148) zzgyb 2008-02-20 2009-06-13 21:51:16 by spring965
    Gaussian中赝势及其输入方法 (8/920) zzgyb 2008-02-20 2009-06-13 21:51:07 by acdmail1
    Introduction to Gaussian 03 Package (4/284) diy670 2008-02-20 2009-06-13 21:50:57 by fox-fox
    精华IIIGaussian03的PBC参数设定大全 (9/1429) zzgyb 2008-02-19 2009-06-13 21:50:46 by ypp5181
    [资源共享] 【分享】Wingamess 下载 (评阅+1) (1/278) loovfnd 2009-02-10 2009-06-13 21:50:04 by lei0736
    Gaussian中IOP关键词使用详解 (8/1228) zzgyb 2008-01-07 2009-06-13 21:48:28 by linda358
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