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    [热点] 小论文投稿 必上岸168 2025-12-14 刚刚
    [转帖]为 Windows 用户准备的简明 Linux 词汇表[已搜索无重复] (评阅+3) (4/823) dnp 2008-01-14 2008-01-18 07:37:27 by fox-fox
    【求助】有谁是做金属体系固液转化的？ (6/378) cuihang 2008-01-16 2008-01-17 10:53:54 by lei0736
    分子和固体的电子结构计算和分子动力模拟软件SIESTA介绍 (4/650) zyy816 2008-01-16 2008-01-17 10:36:32 by y1ding
    【求助】关于使用ADF的感觉及介绍 (评阅+1) (6/622) moueor 2008-01-02 2008-01-17 09:27:38 by yuki877
    [资源共享] 分子力场发展的新趋势_化学通报 (评阅+4) (1/307) yishen 2008-01-16 2008-01-16 00:45:07 by yalefield
    Tripos.Sybyl.v7.3 (4/532) yishen 2008-01-13 2008-01-15 20:48:38 by xufund
    书籍__C語言MPI 平行計算程式設計 (1/519) liverangel 2007-12-06 2008-01-15 11:24:53 by qijiongli
    [资源共享] 一款实用的杀毒软件！ (0/405) vivi255 2008-01-14 2008-01-14 16:21:25 by vivi255
    【求助】aspen如何输入组分的体积组成？ 1 (0/177) zbldwc 2008-01-11 2008-01-14 15:34:03 by zbldwc
    求助HTFS下MUSE的安装问题 (0/207) 23_fh 2008-01-13 2008-01-14 15:33:54 by 23_fh
    【求助】 模糊理论－区分分子相似性和相异性 (0/181) annenv 2008-01-07 2008-01-14 15:33:07 by annenv
    求助：有谁用过Silvaco软件啊 (0/269) hanzhitaodlut 2008-01-13 2008-01-14 15:28:17 by hanzhitaodlut
    【求助】请帮我解决我有关进行量化计算的几个疑问？ (0/137) zx53376876 2008-01-14 2008-01-14 15:16:15 by zx53376876
    【推荐】做计算的一把有用链接 (10/1726) csfn 2008-01-02 2008-01-14 08:04:44 by ypp5181
    求助应用量子化学课件！ (1/167) qianp 2008-01-07 2008-01-13 14:45:35 by csfn
    量化计算在生物体系中的应用 (1/178) liu_fufeng 2008-01-13 2008-01-13 14:41:57 by wonderflyer
    [求助]:在安装rpm包时提示没有找到下列软件包怎么办? (1/650) www880 2008-01-10 2008-01-13 14:36:18 by csfn
    乙烯生产工艺流程的能耗评估 用什么软件好??? (0/184) 十年一世 2007-12-23 2008-01-13 14:21:52 by 十年一世
    液固两相反应器的选择？ (0/156) jia1818 2008-01-09 2008-01-13 14:21:07 by jia1818
    请教以下bridging scale (0/128) macho797 2008-01-08 2008-01-13 14:19:23 by macho797
    PROII培训讲义之物性与热力学专题 (5/407) jackdong 2008-01-10 2008-01-13 12:24:37 by fah
    求助：E-t曲线如何转化为dt/dE-E (2/183) lixiaoxia1970 2008-01-12 2008-01-13 10:44:51 by lixiaoxia1970
    [其他] [求助] NIST-JANAF Thermochemical table的电子版 (0/249) carlon 2008-01-13 2008-01-13 01:37:13 by carlon
    想做贡献，不知道怎么做 (评阅+1) (2/221) shoushibo 2007-12-05 2008-01-12 11:43:24 by liuweicsu
    【求助】GaussView运行问题 (评阅+1) (1/232) flash8407 2008-01-10 2008-01-12 09:31:58 by 小红豆
    【讨论】原子和晶体表面相互作用文章（J. Phys. Chem. B 2006, 110, 7463-7472） (7/784) vegalew 2008-01-07 2008-01-12 01:31:29 by fox-fox
    【求助】segmentation fault问题 (5/494) zhgj1979 2008-01-11 2008-01-11 23:20:30 by qchem
    谁用过Turbomole啊？ (2/228) jun.ren 2008-01-11 2008-01-11 23:00:36 by shalene
    计算模拟QQ群33239166 (评阅+4) (8/244) liuliangying 2007-12-03 2008-01-11 21:22:57 by likaifeng
    Chem 3D for structural optimization ? 10 (4/484) vechov 2008-01-07 2008-01-11 20:53:39 by dongping001
    【求助】怎么样找出结构的空间群    ( 1 2 ) (评阅+1) (11/1272) citrine 2008-01-03 2008-01-11 15:35:22 by yongliu.yl
    【求助】并行计算的时候如何实时监测各节点的CPU和内存负载 (1/900) vegalew 2008-01-08 2008-01-11 12:08:26 by liverangel
    【讨论】CASTEP,VASP,Quantum-ESPRESSO区别 (评阅+2) (6/1854) vegalew 2008-01-09 2008-01-11 00:04:35 by y1ding
    【求助】请教遗传算法进行描述符的筛选和回归分析中F值问题 (8/1153) njut007 2008-01-09 2008-01-10 22:35:25 by dnp
    Unix体验中心 (5/791) wjmed 2008-01-09 2008-01-10 14:58:11 by 小红豆
    [求助]量化翻译，谢谢各位 (3/404) wenhaosun 2008-01-09 2008-01-10 11:18:09 by brover
    [关贴]【求助】都有哪些好的化学化工计算软件?不太贵的 (9/1070) honestdoctor 2008-01-07 2008-01-10 10:32:55 by xtzhzh
    自旋小结 (8/1913) brover 2008-01-09 2008-01-09 23:23:23 by yalefield
    Linux命令集锦 (13/1662) cationly 2008-01-02 2008-01-09 22:11:49 by liutao_jlu822
    免费版MOPAC2007（XP版） (40/6285) alwens 2007-02-28 2008-01-09 19:55:12 by hujianchun1217
    gamess简介【转】 (2/1018) brover 2008-01-09 2008-01-09 15:38:24 by 小红豆
    autodock介绍--官方帖 (4/494) shinykers 2008-01-09 2008-01-09 15:37:08 by 小红豆
    Quantum-Mechanical Ab-Initio Calculation of the Properties of Crystalline (3/309) lu881688 2008-01-09 2008-01-09 15:35:11 by 小红豆
    【已搜无重复】美《科学》杂志预测2008年科研热点【ZZ】 (评阅+4) (3/522) mink 2008-01-04 2008-01-09 00:53:49 by totem
    [资源共享] Chemical Engineering Dynamics: An Introduction to Modelling and Simulation (3/589) tobyjerry 2008-01-08 2008-01-09 00:10:25 by 小笨虫
    求助：如何突破EXCEL2003中255列的限制 (2/304) f-f-q 2008-01-07 2008-01-08 18:23:10 by f-f-q
    分子轨道理论简介 (7/1463) csfn 2008-01-06 2008-01-08 17:30:46 by xz7000
    Windows格式的文件转成Unix格式的文件 (2/547) zzgyb 2008-01-08 2008-01-08 15:32:36 by zhangyili
    【求助】linux下大小写格式转换的命令 (3/772) csfn 2008-01-07 2008-01-08 11:46:43 by cationly
    求助 openeye软件包 (2/367) javacfish 2007-12-26 2008-01-08 10:36:04 by javacfish
    【求助】目前国内是否有功能比较全面的量子化学计算软件    ( 1 2 ) (评阅+1) (10/1206) sandf 2008-01-06 2008-01-08 08:40:56 by yalefield
    诺贝尔奖讲稿：Exclusion principle and quantum mechanics (评阅+2) (1/197) brover 2008-01-07 2008-01-08 08:28:26 by redcrag
    【下载】AutoDock图形工具－BDT－－直接下载 (11/1000) wjmed 2007-12-22 2008-01-08 04:18:07 by yuanchang
    求助QSAR，是什么意思？ (2/211) tpp001 2008-01-06 2008-01-07 14:54:31 by tpp001
    求助alpha-氢氧化镍空间群、晶胞参数和原子坐标和MS模拟问题 (评阅+1) (2/287) lywhit 2008-01-02 2008-01-07 14:22:29 by lywhit
    [资源共享] Elements of Molecular Symmetry (5/495) 学员2bQ2PZ 2008-01-06 2008-01-07 11:50:59 by cationly
    [资源共享] 化学有关资料共享 (4/563) juju550 2008-01-03 2008-01-07 10:02:40 by qianp
    【求助】双氧水溶剂化 计算问题 2 (评阅+1) (1/204) cz020510210 2007-12-30 2008-01-07 09:07:53 by suny2005
    系综小结 (3/2690) csfn 2008-01-06 2008-01-07 01:43:34 by fox-fox
    请问原子的静电荷的物理意义是什么？ (1/261) xiaokeaini83 2007-12-27 2008-01-06 20:11:09 by alwens
    求教氢氧化镍的计算问题 (评阅+1) (0/139) lywhit 2007-12-31 2008-01-06 18:23:58 by lywhit
    对湿法熄焦损失焦碳和热量的分析 (评阅+1) (0/114) aishangshi 2007-12-31 2008-01-06 18:23:56 by aishangshi
    怎么用chem3D来估算分子的大小 (0/589) dna3312 2008-01-04 2008-01-06 18:19:55 by dna3312
    请问如何模拟有机单体在体相中的自组装？ (评阅+1) (0/107) jacktailor 2008-01-04 2008-01-06 18:18:16 by jacktailor
    [其他] [关贴]【化学活动周】计算版新年嘉奖活动奖励专帖    ( 1 2 ) (10/1194) csfn 2008-01-02 2008-01-06 16:35:01 by wangcun832
    [资源共享] Computational Intelligence: An Introduction (8/705) 虫侠 2007-12-23 2008-01-06 15:58:30 by yuanchang
    求Discover Studio软件 (评阅+1) (5/691) snowgary 2008-01-03 2008-01-06 10:53:52 by snowgary
    推荐一本好书 (评阅+1) (0/278) lu881688 2008-01-06 2008-01-06 10:50:23 by lu881688
    [关贴]【推荐】电子结构书籍 (+2) (4/379) csfn 2008-01-05 2008-01-06 09:56:16 by spur
    求助一篇文献！ (0/149) qianp 2008-01-06 2008-01-06 09:49:25 by qianp
    很好的“控制理论”教学视频 (0/141) argen243 2008-01-05 2008-01-05 21:12:55 by argen243
    请问如何查一些物质的键长、键角、二面角等实验数据啊？ 8 (评阅+1) (5/686) sommy007 2008-01-02 2008-01-05 16:46:41 by sommy007
    请教：如何将图片嵌入到origin作的图中？ (评阅+1) (5/566) xiaowandouer 2008-01-03 2008-01-05 15:48:03 by dnp
    分子半径计算 (2/356) python222 2008-01-05 2008-01-05 15:18:57 by python222
    求Cerius2 4.11版安装软件！！！ (1/294) quantumren 2008-01-05 2008-01-05 15:06:07 by snoopyzhao
    求助：模拟有了结果，可是我却犹豫了 (评阅+1) (8/883) njut007 2007-12-25 2008-01-05 10:53:38 by njut007
    什么分子静力学？ (评阅+1) (4/589) goalry 2008-01-01 2008-01-04 21:54:18 by 小笨虫
    length distribution 是什么意思？ (评阅+1) (1/176) tpp001 2008-01-03 2008-01-04 21:51:25 by 小笨虫
    【讨论】关于量化软件中原子的能量定义的问题 (8/786) csfn 2007-12-08 2008-01-04 21:46:24 by 小笨虫
    哪位曾经发过这个课件，找不到那个帖子了 (评阅+1) (1/121) mystar 2008-01-03 2008-01-04 17:07:32 by mystar
    ［求助 10 (评阅+1) (2/229) pipizhu2007 2008-01-04 2008-01-04 12:03:14 by zyy816
    [版务] [关贴]★★★★★【化学活动周----计算版新年嘉奖活动】★★★★★    ( 1 2 3 4 5 6 .. 18 ) (178/3874) csfn 2007-12-25 2008-01-04 11:31:35 by zhenglw
    求助:利用proout做COOP (评阅+1) (3/417) 九尾鱼 2008-01-01 2008-01-04 10:04:59 by eboat
    如何安装：DOCK的legacy_accessories?    ( 1 2 ) (评阅+1) (13/652) javacfish 2007-12-29 2008-01-04 09:08:12 by javacfish
    求助：aspen 的安装问题 (评阅+1) (2/210) wwj1982770771 2008-01-01 2008-01-03 19:18:23 by wwj1982770771
    求助ASPEN的问题 (评阅+1) (2/274) wxjwq023 2008-01-03 2008-01-03 15:45:37 by wxjwq023
    c4.5工具中，如何正确命名.names文件和.data文件？ (评阅+1) (1/1414) qing769 2008-01-03 2008-01-03 14:28:32 by snoopyzhao
    电脑的右下角老出现“你的系统可能存在风险”是怎么回事？ (评阅+1) (1/118) xiamiwang 2008-01-03 2008-01-03 14:24:52 by snoopyzhao
    DAIM这个软件大家有研究么 (评阅+1) (4/347) loappleve 2008-01-02 2008-01-03 11:31:50 by loappleve
    能否解释一下费米能级与化学势的区别？ (评阅+1) (8/1585) gkd_0000 2008-01-02 2008-01-03 11:06:29 by gkd_0000
    Visual Basic 6.0 中文版程序员指南 (0/232) simaosol 2008-01-03 2008-01-03 10:27:27 by simaosol
    飞鸽传书QQ版 (3/270) wuli8 2008-01-01 2008-01-03 10:13:01 by 落日照秋草
    [资源共享] SVM软件包共享 (5/745) juju550 2008-01-02 2008-01-03 01:19:31 by yelverxm
    [关贴]考考你 (评阅+1) (0/159) libing2008fei 2008-01-02 2008-01-02 22:55:44 by libing2008fei
    [资源共享] supi 网友为大家整理的《量化重要文献汇集》 (评阅+4) (3/1281) fengyidai 2007-12-25 2008-01-02 20:02:27 by gkd_0000
    关于moe (评阅+1) (9/1429) loappleve 2007-12-29 2008-01-02 16:44:59 by loappleve
    [其他] [关贴]【化学活动周……活动2奖励专帖】 (5/642) csfn 2007-12-28 2008-01-02 16:01:25 by lyzf81
    [版务] 计算专版终于成立！（版块发展见证帖）    ( 1 2 3 4 5 6 .. 44 ) (436/9899) csfn 2007-12-03 2008-01-02 10:52:14 by chongzi728
    求助量子化学计算方法 (评阅+1) (5/565) zqj 2007-12-29 2008-01-01 21:36:13 by zqj
    请问有没有模拟紫外吸收的软件 (2/209) popbasketball 2007-12-27 2008-01-01 19:37:47 by snoopyzhao
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