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    [热点] 郑州大学申博 stars~ 2026-10-21 刚刚
    [其他] 【求助】介电/磁导率计算 (0/195) zjuer 2008-10-16 2008-12-31 14:47:30 by zjuer
    [其他] 【求助】求一封计算化学专业推荐信 (0/211) minmin_0082003 2008-10-16 2008-12-31 14:47:25 by minmin_0082003
    [其他] 【求助】这样的曲线拟合怎么做? (1/274) xujinxia 2008-10-17 2008-12-31 14:47:20 by xujinxia
    [其他] 【求助】请问如何在MS中建立纳米线结构 (5/464) li_xinjiang 2008-10-09 2008-12-31 14:43:08 by zzgyb
    [其他] 【求助】迭代计算产物组分出现负数,怎么去校正,进入下一个迭代 (0/161) hwzheng 2008-12-04 2008-12-31 14:40:56 by hwzheng
    【求助】pdos 计算问题 (0/300) 分子科学学报编� 2008-12-05 2008-12-31 14:40:50 by liwl926
    [其他] 【求助】各种氯酚的热焓实验数值及出处 5 (0/105) ccc13 2008-12-08 2008-12-31 14:40:46 by ccc13
    [其他] 【求助】急求各种氯酚的热焓实验值及出处 3 (0/148) ccc13 2008-12-08 2008-12-31 14:40:42 by ccc13
    [其他] 【求助】谁能找到winmopac3.9的中文说明 (0/272) shyman128 2008-12-08 2008-12-31 14:40:30 by shyman128
    【求助】MOPAC结果不显示占据轨道数 (0/172) mengsk 2008-11-03 2008-12-31 14:39:40 by mengsk
    [其他] 【求助】:有关IRC计算过程!谢谢... (0/365) 友风 2008-11-29 2008-12-31 14:39:31 by 友风
    【求助】在用variflex时多次提到主方程是什么? 2 (0/270) 友风 2008-11-22 2008-12-31 14:39:26 by 友风
    【求助】求g03w的d以上版本和gview3.9以上版本 (0/278) jjww0001 2008-11-03 2008-12-31 14:39:11 by jjww0001
    【求助】卡片使用者 5 (0/172) jinhongyan2009 2008-11-13 2008-12-31 14:38:55 by jinhongyan2009
    【求助】请教个高斯计算的问题 (1/235) 皓儿165 2008-12-26 2008-12-31 14:38:35 by 皓儿165
    【求助】hydrophobic interactions (0/137) xiusi 2008-12-27 2008-12-31 14:38:02 by xiusi
    [招聘&会 ] 【招聘】西北大学物理类招聘 (0/331) impnwu 2008-12-28 2008-12-31 14:37:57 by impnwu
    【求助】能在vista下运行的origin软件!!!十分感谢! (0/165) mbl0405 2008-12-29 2008-12-31 14:37:41 by mbl0405
    【求助】大家有什么好的计算杂志推荐? (4/779) easp 2008-12-21 2008-12-31 09:03:19 by wuhanhgf2002
    【分享】hyperchem 应用 (1/452) workerhuo 2008-10-18 2008-12-31 09:02:19 by cloudyboy
    [其他] 【分享】GPU为什么跑得快 [转载]    ( 1 2 ) (评阅+5) (10/2109) yalefield 2008-04-26 2008-12-31 08:06:51 by whitewatercn
    [资源共享] 【共享】一比较好的NIST的元素周期表(PDF) (2/252) wonderflyer 2008-10-15 2008-12-31 05:45:23 by wanlichuan
    [资源共享] 【分享】中国人写英文文章最常范的错误总结(更新) (15/1157) wuli8 2008-11-06 2008-12-30 22:08:57 by wuli8
    【求助】 rate-limiting step (1/143) stractor 2008-12-18 2008-12-30 21:05:30 by stractor
    [资源共享] 【求助】一维非稳态可压缩流体的数值模拟 1 (2/328) dream08 2008-10-11 2008-12-30 19:06:24 by mopsite
    【求助】GAUSSIAN03优化出错!!! (0/260) flash8407 2008-12-30 2008-12-30 14:47:31 by flash8407
    【求助】激发态偶极矩的计算【TD-DFT】 (2/421) zeit2000 2008-12-17 2008-12-29 17:32:51 by gzshen
    【求助】氧在α—Fe中的室温、高温固溶度 (0/123) lucissy 2008-12-29 2008-12-29 14:18:18 by lucissy
    [资源共享] 【分享】Computational Organometallic Chemistry (13/1317) zzgyb 2008-02-26 2008-12-29 09:55:59 by bigcontinent
    【求助】 计算polymer的HOMO-LUMO gap (0/259) bigcontinent 2008-12-29 2008-12-29 09:20:27 by bigcontinent
    [资源共享] (转)固体物理资料的163邮箱(含各版本固体物理习题解答) (3/1372) wuli8 2008-05-30 2008-12-28 09:36:30 by fox-fox
    [其他] 【求助】Int. J. Quantum Chem.审稿和出版 (4/631) quantum999 2008-11-27 2008-12-28 07:28:39 by lorna639
    【求助】vasp的NEB寻找过渡态的问题    ( 1 2 ) (11/1798) ivan508 2008-12-17 2008-12-27 11:15:09 by ivan508
    【求助】醛与氨生成的亚胺的问题 (2/295) zdh_63594213063 2008-12-09 2008-12-27 10:25:27 by zdh_63594213063
    【求助】polyrate运算不下去 5 (1/353) flyinsky878 2008-11-04 2008-12-27 02:12:56 by hbinjm
    【交流】这回算不算一网打尽?    ( 1 2 ) (评阅+3) (10/715) yalefield 2008-12-21 2008-12-26 18:49:35 by yelverxm
    【求助】关于abinit和PWSCF参数设置之间的关系问题 (2/298) idoldog 2008-10-21 2008-12-26 09:12:36 by zhaona733
    【求助】pwscf 算声子出错Can't start from pw.x data using gamma-point tricks? (1/190) txf8378 2008-10-10 2008-12-26 09:08:08 by zhaona733
    [其他] 【求助】Materials Explorer 5.0 版权 500 (1/367) farawaygoing 2008-11-06 2008-12-26 07:48:53 by farawaygoing
    [其他] 【求助】计算机机能课PPT 5 (0/148) dreamingzzn 2008-11-16 2008-12-26 07:40:29 by dreamingzzn
    [其他] 【求助】13顶点碳硼烷怎么判断出C2V点群 2 (0/134) nanasj 2008-11-19 2008-12-26 07:38:04 by nanasj
    [其他] 支持该版! (评阅+2) (0/113) lztb 2008-12-25 2008-12-25 23:03:28 by lztb
    分子动力学模拟著名软件amber 9.0 i386 下载    ( 1 2 ) (56/8935) zuoyinglin 2008-04-22 2008-12-25 17:24:11 by xiaodongjian
    【求助】请教计算两个原子之间是否成键的软件 (2/287) nan.wang 2008-07-24 2008-12-25 13:17:28 by coolrainbow
    [资源共享] 【分享】Spartan下载 再次分享大型软件 不顶勿入 (16/2777) zuoyinglin 2008-04-24 2008-12-25 11:56:44 by njuxyh
    【求助】如图:Gaussiew画出的轨道显示是反键还是成键呢 (2/353) kaluoyi2008 2008-06-30 2008-12-24 10:13:20 by albinking
    【求助】dmol 的linux 版 (1/221) yongtuo 2008-09-19 2008-12-24 10:13:11 by madonion
    【求助】:需要Dynafit软件,能否提供带驱动licence的 15 (0/250) long8989long 2008-07-14 2008-12-24 09:16:45 by long8989long
    【求助】smeagol透射系数的处理 (0/271) xiayu2002 2008-07-16 2008-12-24 09:16:38 by xiayu2002
    【求助】ADF部分占据错误 (0/127) jghe 2008-08-02 2008-12-24 09:16:27 by jghe
    【求助】polyrate (0/162) flyinsky878 2008-08-28 2008-12-24 09:16:19 by flyinsky878
    【求助】请问pm3在gaussian和MOPAC程序中计算结果有什么不同? (0/268) pengjuan296 2008-09-07 2008-12-24 09:15:33 by pengjuan296
    【求助】关于variflex (0/310) sophia_999 2008-09-09 2008-12-24 09:15:28 by sophia_999
    【求助】算SrTiO3能带结构得到结果有误! (3/391) idoldog 2008-10-20 2008-12-24 09:12:34 by spur
    【求助】CAM-B3LYP (0/288) nongchaoer1852 2008-11-25 2008-12-24 09:07:25 by nongchaoer1852
    【求助】ADF开壳层片段的能量分解 5 (5/598) suntao1982 2008-11-14 2008-12-24 09:07:05 by suntao1982
    【求助】求高斯98或03程序软件 (3/594) lxcyanjiu 2008-03-31 2008-12-24 09:06:33 by zesin
    【求助】用高斯模拟纳米管计算时,力场不收敛怎么办啊 20 (0/221) 马方9325 2008-11-30 2008-12-24 09:02:55 by 马方9325
    [其他] 【求助】搜索过渡态 (0/192) 朱三娥 2008-12-20 2008-12-24 08:59:41 by 朱三娥
    【求助】请教画分子点群图的软件或者其他方式能画出分子点群图    ( 1 2 ) (14/1151) rcliutao 2008-10-28 2008-12-23 16:21:48 by lengyan2723
    【求助】乙烷重叠式的能量【Gaussian03】 (2/300) dralexandero 2008-11-29 2008-12-23 16:05:09 by lengyan2723
    [资源共享] 【分享】How to Succeed in Graduate School:A Guide for Students and Advisors (3/247) wuli8 2008-11-07 2008-12-23 13:03:11 by quantumor
    [其他] 【求助】关于画晶体的 (0/168) yitahutu 2008-12-22 2008-12-22 16:08:30 by yitahutu
    [版务] ★★★★★【聚焦计算导师或博士】 ★★★★★    ( 1 2 3 4 5 6 .. 9 ) (83/6598) csfn 2007-12-29 2008-12-21 15:43:14 by hdkdgl
    [其他] 【求助】<<科学计算引论—基于MATLAB的数值分析>> 电子版一书 (金币≥5)(3/159) 徐启远 2008-11-02 2008-12-20 21:15:34 by dickli2008
    [其他] 【求助】MS软件在哪下载??? (1/317) karensiqin 2008-12-09 2008-12-20 17:53:39 by yongyong2050
    [其他] 【求助】关于NBO (0/301) nanasj 2008-12-20 2008-12-20 11:11:48 by nanasj
    【求助】急急急!!!!!求助大侠Frontier orbitals compositons 怎么得到啊 5 (3/414) s060604014 2008-11-25 2008-12-19 23:43:09 by xuefei06
    [招聘&会 ] 【分享】化工行业软件大全简介(比较介绍) (2/372) meixiang3698 2008-11-21 2008-12-19 23:21:55 by xuefei06
    [其他] 【交流】有没有搞气凝胶模拟的?请进来! (1/189) 好好学习5290 2008-11-22 2008-12-19 18:20:04 by xuefei06
    [招聘&会 ] 【讨论】有没有数、理、计算机的研究生同学愿意来北京做生物? (1/288) amms_8 2008-12-17 2008-12-19 15:47:31 by xingzi00
    [关贴]【求助】有人知道投影寻踪回归分析用什么软件可以吗? (2/604) gjlcanfly 2008-12-09 2008-12-19 13:30:08 by gjlcanfly
    [其他] 【求助】ump2 与CASSCF方法在同一基组水平下那一个更耗时呢! (0/148) vividelife 2008-12-19 2008-12-19 08:24:19 by vividelife
    [其他] 【求助】关于一个稀疏矩阵 (2/160) as23p 2008-11-19 2008-12-19 02:52:07 by redcrag
    【求助】NETZSCH-Proteus热分析软件 5 (1/429) dewen 2008-11-26 2008-12-19 00:03:08 by xuefei06
    【求助】有关electron transfer matrix element (0/147) liudandan0 2008-12-18 2008-12-18 16:27:51 by liudandan0
    【交流】谁对电子态密度做过积分 (评阅+2) (0/261) zhanghuia0401 2008-12-18 2008-12-18 15:58:50 by zhanghuia0401
    【求助】关于MS计算晶体方面的问题 8 (3/404) yitahutu 2008-11-26 2008-12-17 23:06:46 by css8170
    【求助】请虫友给我一个建议吧 (2/231) leeying 2008-12-15 2008-12-17 22:23:02 by css8170
    【求助】复矩阵特征值计算 (0/165) zhangym6800 2008-12-17 2008-12-17 13:20:59 by zhangym6800
    【求助】求助GCEMC 50 (0/127) changchengd 2008-12-17 2008-12-17 09:28:04 by changchengd
    [其他] 【求助】决定做计算了,大家帮帮忙 (1/215) leeying 2008-12-16 2008-12-16 18:26:52 by madonion
    [资源共享] 【分享】HyperChem 程序及其应用 (5/1119) tutu2000 2008-03-15 2008-12-16 15:39:00 by blueeye9
    [其他] 【讨论】改版后的计模,大家觉得怎么样?    ( 1 2 ) (评阅+8) (15/1239) xiaowandouer 2008-12-11 2008-12-16 15:04:32 by chemhz
    [其他] 【求助】DMOl3中的Levels above and below the Fermi level怎样设置 2 (1/171) zhangyunli 2008-08-02 2008-12-16 13:48:54 by zhangyunli
    [其他] 【求助】A Laboratory Book of Computational Organic Chemistry (0/413) ypp5181 2008-12-16 2008-12-16 09:48:37 by ypp5181
    【求助】二元二次以上模型用何种软件建立? (1/226) ptvalue 2008-08-12 2008-12-15 21:29:41 by fspdlh
    【求助】:aspen plus 计算反应平衡常数 (4/1706) desalt 2008-12-05 2008-12-13 17:33:00 by desalt
    [资源共享] 【分享】计算机系统常规故障解决手册 (3/322) zxp 2008-11-22 2008-12-13 00:03:57 by quantumor
    【求助】反应热的计算 (2/400) berlin 2008-12-10 2008-12-12 22:46:13 by berlin
    [其他] 【求助】络和反应过渡态问题 (2/219) 友风 2008-12-11 2008-12-12 15:16:39 by robot551
    【分享】"高性能并行计算"课程讲义 (20/3358) csfn 2007-12-29 2008-12-11 19:27:34 by qianbh
    【求助】请教fortran程序执行问题 (8/734) bonaman 2008-11-22 2008-12-11 16:13:25 by wgpig
    【分享】转载:AutoDock使用札记 (3/1824) xttide 2008-09-11 2008-12-11 15:27:34 by airbaowei
    [其他] 【求助】【求Hotelling T2分布分位数表】 (9/1273) ning903 2008-11-17 2008-12-11 15:05:58 by ning903
    [其他] 【求助】 unble to get k-Points 是怎么回事? (0/145) lxmn 2008-12-11 2008-12-11 09:21:17 by lxmn
    【分享】宏剑公司创刊号    ( 1 2 ) (评阅+5) (10/1326) itcjluzy 2008-10-30 2008-12-11 08:28:20 by lxl8506
    [其他] 【求助】弹性模数,泊松比 (0/150) mirage181 2008-12-10 2008-12-10 19:11:33 by mirage181
    [其他] 【求助】关于一个概念的问题 (0/125) 皓儿165 2008-12-10 2008-12-10 16:50:18 by 皓儿165
    【求助】过渡态计算问题 1 (2/409) liuyanzhu_79 2008-12-08 2008-12-10 10:30:17 by liuyanzhu_79
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