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    [热点] 博士读完未来一定会好吗 stryry 2025-12-14 刚刚
    非晶模拟的群号 (评阅+2) (0/31) hrb826 2008-03-01 2008-03-01 08:27:24 by hrb826
    【求助】vasp驰豫和静态计算? (6/552) zhuly 2008-02-27 2008-02-29 16:05:56 by cationly
    量化会议 (1/201) quantum999 2008-02-29 2008-02-29 15:47:31 by csfn
    【求助】：求B－JAC的应用例子，谢谢！ (1/182) phenoxy 2008-01-29 2008-02-29 10:13:43 by ling02ling
    【求助】有用gproms做精馏塔的吗？ (0/322) zbldwc 2008-02-29 2008-02-29 08:34:40 by zbldwc
    共享一些资源 (0/287) hustxj 2008-02-28 2008-02-28 20:39:29 by hustxj
    【求助】请问什么软件可以计算不同温压条件下的拉曼光谱 (5/395) horson 2008-02-28 2008-02-28 11:36:40 by horson
    【求助】有关数学的加权公式问题！！！ (4/403) bbslover 2008-02-25 2008-02-28 11:17:34 by bbslover
    【讨论】通信专业的女生学习linux有前景吗？ (4/1077) taboo982 2008-02-26 2008-02-28 08:20:02 by zzgyb
    [讨论]复杂体系-构效关系 (评阅+3) (8/655) yalefield 2008-02-26 2008-02-28 00:46:49 by yalefield
    讨论：关于国外化学信息学研究机构的信息 (4/472) yelverxm 2008-02-25 2008-02-26 23:29:29 by yelverxm
    [求助]帮忙推荐几篇HIV-1 IN 药物设计方面的文献 (1/180) teddyxing 2008-02-26 2008-02-26 22:07:20 by c00jsw00
    【求助】第一性计算声子的程序 10 (5/493) easp 2008-02-24 2008-02-26 10:15:16 by netx_ray
    [救助]请教大家这个图形用什么软件可以做出来吗?    ( 1 2 ) (16/1235) chenenlin319 2008-02-22 2008-02-25 14:22:25 by chenenlin319
    15金币求：LaNi5,LaOCl在850度是的吉普斯自由能~~~太谢谢了 1 (评阅-2) (1/163) lunar810828 2008-02-12 2008-02-25 13:10:56 by lunar810828
    [求助]物理测量量 (0/113) 心宁 2008-02-25 2008-02-25 12:51:20 by 心宁
    【求助】那位大侠说下如何下载comsol网上的例子 (5/494) fdtdpc 2008-02-24 2008-02-25 11:53:03 by lei0736
    [资源共享] 发几个不错的Mathematica教程 (4/609) lvzhu2007 2008-02-24 2008-02-25 10:55:08 by lvzhu2007
    【讨论】有模拟非晶的吗？进来讨论吧 (1/219) yuyu882 2008-02-24 2008-02-25 09:01:01 by borce
    [资源共享] 中国科学技术大学计算物理课件 (4/615) lvzhu2007 2008-02-24 2008-02-24 21:36:37 by 小红豆
    ubuntu linux杂志 (已更新) (6/853) dnp 2007-12-19 2008-02-24 19:53:42 by dnp
    【讨论】什么是第一性原理计算(What are first principles calculations?) (评阅+2) (6/1073) tutu2000 2008-01-31 2008-02-24 18:24:53 by yuyu882
    [资源共享] MPICH培训教材 (5/324) lvzhu2007 2008-02-20 2008-02-24 16:41:11 by yjqqliu
    [求助]:如何看计算迭代的步骤 (2/585) caocherry 2008-02-23 2008-02-24 11:56:03 by caocherry
    【求助】 请教：QSAR中有关加权运算问题！！ (2/216) haoming_0027 2008-02-23 2008-02-24 10:07:11 by haoming_0027
    从培训内容看化学信息学 (评阅+2) (2/302) yalefield 2008-02-23 2008-02-23 22:23:50 by yalefield
    【求助】　关于晶体磁性的问题 (3/407) 心宁 2008-02-20 2008-02-23 21:59:52 by 心宁
    [关贴]? (金币≥65535)(2/79) 媚蓝 2008-02-23 2008-02-23 18:45:50 by 媚蓝
    （求助） Mstudio Mindlab这个计算程序怎么样？ (4/435) miaojuhong 2008-02-22 2008-02-23 13:52:10 by miaojuhong
    [资源共享] ［强烈推荐］计算化学讲义 (4/561) lvzhu2007 2008-02-21 2008-02-22 17:44:35 by snoopyzhao
    [资源共享] 一个很有用的读图工具(DIGI 有链接了) (4/493) hrb826 2008-02-21 2008-02-22 09:29:18 by yuyu882
    曙光计算机培训教材－－－OpenPBS安装和管理快速入门(v1.0) (1/493) lvzhu2007 2008-02-20 2008-02-22 07:49:50 by fox-fox
    [其他] [求助]求chemwindow6.0软件 (2/285) 王闯 2008-02-18 2008-02-21 17:34:47 by 王闯
    招聘量化计算方面博士生    ( 1 2 ) (评阅+4) (14/1366) eboat 2007-12-12 2008-02-21 15:09:58 by linda358
    应用程序或DLL C：/WINDOWS/system32/devenum.dll为无效的windows映象 麻烦解决下！ (2/208) jj200 2008-02-20 2008-02-21 13:57:38 by jj200
    [其他] [关贴]国产的？ (0/152) yalefield 2008-02-21 2008-02-21 10:58:08 by yalefield
    推荐一本编程好书 (2/237) ycxhxk 2008-02-19 2008-02-20 14:33:38 by zhczf
    【求助】请问，药物分子设计方面的国外杂志有那些？    ( 1 2 ) (16/1064) rtjrj 2007-12-10 2008-02-20 13:45:30 by yalefield
    给计算机专业学生的忠告（转帖自期刊《网络与信息》2007/10） (评阅+3) (3/416) amyheart 2007-12-17 2008-02-19 10:50:32 by ycxhxk
    求助：结构化学课件和教案！有金币奖励呀！ 10 (0/231) qianp 2008-02-18 2008-02-18 23:35:52 by qianp
    求教生物酶方面的动力学模拟计算 (4/322) liwenliang 2008-01-25 2008-02-18 21:21:07 by wangkaikai
    转载的一些量子化学资料 (+4.5) (评阅+3) (5/616) han_jiangxue 2006-07-20 2008-02-18 20:55:13 by linzhongaiguo
    Hyperchem 视频教程 (+4.5) (评阅+2) (7/1160) niliu 2006-05-26 2008-02-18 20:54:29 by liuyz_002
    “Computational fluid dynamics”(CFD) introduction (7/313) guoxin2005 2007-12-13 2008-02-18 20:53:39 by madou7394138
    High Performance Cluster Computing (2/838) liverangel 2007-12-05 2008-02-18 20:50:25 by fox-fox
    【求助】O——H------N的氢键键长 (2/368) tom2003cat 2008-01-12 2008-02-18 20:33:20 by snowmoun
    [资源共享] 并行计算+编程+编译的ftp（速度很快） (3/499) liverangel 2007-12-11 2008-02-18 20:32:16 by zxl102623
    PSI3: An open-source Ab Initio electronic structure package (1/241) alwens 2007-12-07 2008-02-18 18:26:23 by 小红豆
    关于高斯基函数选择的强文 (3/444) hufeng 2007-10-20 2008-02-18 18:19:09 by 小红豆
    偶极性／极化率是什么意思． (5/1417) zhuqingjun 2008-01-05 2008-02-18 17:05:06 by emily66
    [关贴]拜求ciw安全分析师课件 (0/126) lzqcg 2008-02-15 2008-02-18 16:53:33 by lzqcg
    有关氧化锌晶体（ZnO）中掺杂能量的问题 (1/266) csu 2008-02-03 2008-02-18 16:50:46 by 心宁
    【转载】Verycd上HexTran、Dynsim下载 (评阅+3) (0/449) upcb 2008-02-17 2008-02-17 17:26:28 by upcb
    【求助】求模拟高分子在固体表面吸附的软件 (4/482) 聚乙二醇 2008-01-22 2008-02-17 16:46:18 by Justsoso
    【求助】晶体计算方面的问题 (3/303) cjhztt 2008-01-09 2008-02-17 11:19:31 by 心宁
    [求助]参数拟合和模型建立问题 (4/507) rhinoxixi 2008-01-29 2008-02-16 17:34:37 by 枯禅
    [资源共享] 综述文章《Chemical reactions at surfaces and interfaces from first principles》 (6/711) zzgyb 2008-01-27 2008-02-14 00:47:51 by fxhxhxh
    急,请高手看看-google不能用的问题 (0/126) TJFWAL 2008-02-13 2008-02-13 17:14:55 by TJFWAL
    免费的分子对接程序DOCK，免费的PDB数据库 (18/497) yalefield 2007-10-24 2008-02-13 15:29:20 by oliverwuwei
    【原创】并行虚拟筛选软件eHiTS使用札记－－庆祝圣诞 (3/535) wjmed 2007-12-24 2008-02-11 14:43:28 by xufund
    [资源共享] Encyclopedia of Computational Chemistry, 5 Volume Set (6/1001) snoopyzhao 2008-02-05 2008-02-10 08:03:23 by fox-fox
    求助:含甲醇,甲酸的甲醛水溶液的密度和粘度(70~150℃,0.3~0.5MPa)如何计算呀? (5/445) zbyyjrcxc 2008-01-27 2008-02-09 22:53:22 by mengsky
    [资源共享] Postdoc Position on Theoretical study of materials (1/286) eboat 2008-02-09 2008-02-09 21:44:30 by 小红豆
    [其他] 化学区版主团队向小木虫全球虫友恭贺新年！ (评阅+2) (5/215) yxy8451 2007-12-30 2008-02-06 18:11:35 by 小红豆
    [求助]数值函数化拟合问题，给20金币 (5/397) caoyilong 2008-02-03 2008-02-05 21:33:01 by yytsnake
    求助一本书：Encyclopedia of Computational Chemistry (1/216) llhxaustin 2008-02-05 2008-02-05 12:58:57 by snoopyzhao
    谁能提供 NAG fortran library 源代码 50 (3/325) allawwp 2008-02-03 2008-02-04 12:15:09 by dongxw139
    [资源共享] Principles of Computer Graphics: Theory and Practice Using OpenGL and Maya (1/218) dongmy526 2008-02-03 2008-02-03 17:23:03 by 小红豆
    红帽集群文档pdf格式 Red Hat Cluster Enterprise Linux 5 (5/835) catone 2008-02-02 2008-02-03 11:51:49 by sickboy
    请教超极化率的意义？ (1/180) quantum999 2008-02-01 2008-02-02 18:35:33 by defgh
    1998年Kohn在获得诺贝尔奖上演讲 (评阅+3) (2/486) hbzjdd 2007-12-13 2008-02-02 18:28:28 by tephoon78
    windows me 疑问求助 10 (0/139) 19831014aa 2008-02-02 2008-02-02 18:18:16 by 19831014aa
    求助sybyl需要的电脑配置    ( 1 2 ) (10/856) gengyue1984 2008-01-29 2008-02-02 09:43:20 by gengyue1984
    在高斯中如何看优化结构的对称性【奖励5个金币】 (3/414) elephant51 2008-01-28 2008-02-01 09:47:41 by brover
    [求助]sybyl7.3在rhel5的安装问题    ( 1 2 3 ) (评阅+1) (24/1143) xufund 2007-12-26 2008-02-01 09:40:29 by weishenme
    Comsol软件介绍 (评阅+4) (4/3411) hbcnwatson 2007-12-25 2008-01-31 21:30:40 by emily66
    求助:有计算极化率的吗? (评阅+1) (8/641) qina 2008-01-01 2008-01-31 21:10:29 by emily66
    DOCK虚拟筛选后,怎么让打分高低按顺序排列 (4/602) javacfish 2008-01-08 2008-01-31 09:48:17 by teddyxing
    电子版《固体能带理论》、《凝聚态物理》发出来了 (2/521) 心宁 2008-01-27 2008-01-31 09:39:16 by 心宁
    红帽企业 Linux 3系统管理指南 (4/556) catone 2008-01-29 2008-01-31 07:40:39 by fox-fox
    [转贴]Linux 集群大全[已搜索无重复] (5/1312) dnp 2008-01-23 2008-01-30 08:58:37 by fox-fox
    The Trouble with QSAR (4/297) yalefield 2008-01-29 2008-01-30 07:58:58 by fox-fox
    [资源共享] GPU新文献1篇 (2/469) yalefield 2008-01-26 2008-01-30 07:46:01 by fox-fox
    哪位帮我看看这个方程怎么解？ (评阅+1) (3/296) jiannywang 2007-12-24 2008-01-29 17:01:48 by jiannywang
    高分子液晶模拟，有什么好程序推荐？ (5/594) szukkboy1 2007-12-23 2008-01-29 16:35:09 by SZUKkboy
    联想公司培训时用的mpi程序开发与设计-412页 (10/1333) liverangel 2007-12-07 2008-01-29 13:27:47 by catone
    [版务] 投票:  [关贴]【有奖投票】版主公选    ( 1 2 3 4 5 6 .. 10 ) (评阅+10) (金币≥10)(97/941) csfn 2008-01-24 2008-01-29 12:24:18 by csfn
    有奖征求计算电荷转移发光的资料 (2/220) hanhaixf-77 2008-01-25 2008-01-28 10:33:20 by hanhaixf-77
    [其他] 希望大家支持我black0014——选举版主 (6/514) black0014 2008-01-27 2008-01-28 08:47:51 by 小笨虫
    Chemcad 请教 (3/483) 火箭头 2008-01-23 2008-01-27 08:06:36 by 火箭头
    [信息]CrystalMaker 2.0发布了 (评阅+2) (3/420) nuser 2008-01-22 2008-01-26 18:37:22 by SZUKkboy
    相当于300位QSAR专家的THE DISCOVERY BUS (评阅+3) (3/430) yalefield 2008-01-24 2008-01-25 00:46:52 by yalefield
    【求助】请问有人注册了www.ibscreen.com数据库的账号吗？ (1/184) ky96998 2008-01-10 2008-01-24 16:12:45 by wjmed
    求助: 着急用的文献 (2/188) zhaolz 2008-01-24 2008-01-24 12:16:56 by zhaolz
    [其他] 【求助】请问chem3D有没有版权限制？ (3/612) il701 2008-01-23 2008-01-23 18:11:14 by il701
    VIM的手册 (1/546) cationly 2008-01-03 2008-01-21 21:52:49 by scbible
    【求助】咨询分子模拟软件 (8/395) lyts1027 2008-01-18 2008-01-21 13:08:20 by moueor
    [资源共享] matlab详细手册 (5/528) jinnengzhi 2008-01-07 2008-01-20 10:02:31 by jinnengzhi
    [资源共享] 哈特里-福克方法和密度泛函理论 (5/748) czhang07 2008-01-11 2008-01-20 07:58:21 by lxhtycn
    安装mpich2成功后 运行mpdtrace 出现的问题 谢谢各位了 (2/581) wuchenwf 2008-01-17 2008-01-18 22:42:27 by wuchenwf
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