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[热点] 酰胺脱乙酰基 chibby 2026-02-10 刚刚
[MS] 【求助】怎么用ms给直径变化的单壁碳纳米管建模? (6/1725) frank_zhan 2011-01-10 2011-01-14 22:53:35 by Tower.Tsu
[MS] 【求助】求助 (4/324) convenient 2011-01-13 2011-01-14 17:19:49 by xianggui7895
[MS] 【求助】[font=宋体]CO2生成的I型水合物晶胞[/font] (0/193) zilang 2011-01-14 2011-01-14 17:19:32 by zilang
[MS] 【求助】如何用CASTEP做分层态密度图 (2/559) jgq880125 2010-11-28 2011-01-14 16:53:38 by liuhongge1
[MS] 【求助】关于MS4.4的一个问题    ( 1 2 ) (10/977) llg1987 2011-01-02 2011-01-14 14:52:05 by llg1987
[MS] 【求助】总是提交作业被非正常退出 (0/472) zhenfeili 2011-01-14 2011-01-14 09:37:24 by zhenfeili
[MS] 【求助】符号怎么移动啊 (4/872) mk1599 2011-01-09 2011-01-13 21:45:56 by zd777
[MS] 【求助】请教怎样用MS建立Al70Ni15Co15的模型。 (0/220) wangla 2011-01-13 2011-01-13 17:27:23 by wangla
[MS] 【求助】如何快速查找到原子占位情况? (2/946) kuailedandan 2011-01-12 2011-01-13 12:28:25 by xianggui7895
[MS] 【求助】MS活性炭可以建模吗? (1/734) sunzhiguo 2011-01-12 2011-01-13 10:33:51 by 想飞的鱼85
[MS] 【求助】CASTEP的吸附dynamic以及吸附分子频率 (0/528) houfeifan 2011-01-13 2011-01-13 09:18:53 by houfeifan
[MS] 【求助】MS能做这样的图形吗 (5/579) fulin 2010-12-28 2011-01-12 19:09:57 by 锐利的碎片
[MS] 【求助】如何用Dmol3计算金属表面能?? (0/364) clszxh02 2011-01-12 2011-01-12 13:12:16 by clszxh02
[MS] 【求助】计算小分子表面吸附问题!谢谢 (6/1068) jdy19862002 2011-01-04 2011-01-12 09:46:39 by xfy0423
[MS] 【求助】频率谱是如何光滑的? (0/192) hhuwanghui 2011-01-11 2011-01-11 21:52:01 by hhuwanghui
[MS] 【求助】Dmol K-piont 设置问题 (8/590) amywj 2010-12-30 2011-01-11 17:18:20 by fangyuan5687
[MS] 【求助】求助 (1/224) convenient 2011-01-11 2011-01-11 11:48:57 by xianggui7895
[MS] 【求助】MS缺陷模拟 (1/369) bingxing 2011-01-10 2011-01-11 09:23:33 by zd777
[MS] 【求助】热力学数据分析 (2/766) 材料小宝宝 2010-12-31 2011-01-11 09:09:08 by 材料小宝宝
[MS] 【求助】castep 建模 (7/1644) 哭泣的luotuo 2010-12-28 2011-01-11 09:00:26 by 薛金祥
[MS] 【求助】gamma al2o3 建模时遇到困惑 帮帮我 (2/430) cuimingshan 2011-01-10 2011-01-11 08:22:55 by cuimingshan
[MS] 【求助】smearing (1/3162) number1xu 2011-01-10 2011-01-10 22:14:24 by frank_zhan
[MS] 【求助】CASTEP结构优化 (0/247) akun22951 2011-01-10 2011-01-10 19:52:35 by akun22951
[MS] [关贴]【原创】哪位仁兄做过gamma-al2o3,能否交流交流? (评阅-2) (0/363) cuimingshan 2011-01-10 2011-01-10 16:51:03 by cuimingshan
[MS] 【求助】计算AFM的半导体时参数怎么设置? (0/265) gougou531 2011-01-10 2011-01-10 15:23:56 by gougou531
[MS] 【求助】在用LDA+U计算性质时出现错误 (0/310) gougou531 2011-01-10 2011-01-10 15:06:46 by gougou531
[MS] 【求助】问下MS discover 如何加力 (金币≥1)(1/53) 不是人间焰火 2011-01-10 2011-01-10 12:28:13 by xianggui7895
[MS] 【求助】紧急求助 (评阅-1) (2/320) convenient 2011-01-09 2011-01-10 12:24:28 by xianggui7895
[MS] 【求助】请高手指教啊!! (4/594) maxuesh 2010-12-26 2011-01-10 09:55:56 by maxuesh
[MS] 【分享】5.12创腾MS高分子材料培训 专题讲座二[视频]    ( 1 2 ) (53/1428) simone389 2009-05-12 2011-01-10 09:42:46 by zhangxixi1
[MS] 【求助】CASTEP计算能量 (2/542) liangping3881 2011-01-09 2011-01-09 22:58:37 by souledge
[MS] 【求助】CASTEP能量不收敛? (2/1001) xianggui7895 2011-01-07 2011-01-09 22:55:57 by souledge
[MS] 【求助】能用Materials-studio计算氧化物的表示导电性或与导电性相关的指标吗? (0/629) yppp 2011-01-09 2011-01-09 22:35:02 by yppp
[MS] 【求助】求教一下fp计算系统中各个物质所带电荷问题 (1/313) xk6891 2011-01-08 2011-01-09 22:19:23 by zzy870720z
[MS] 【求助】TS confirmation计算中出现的问题 (0/526) charityqi 2011-01-09 2011-01-09 20:53:44 by charityqi
[MS] 【求助】如何用MS查看高斯的计算结果 (2/602) ter20 2011-01-07 2011-01-09 20:08:28 by ter20
[MS] 【求助】如何计算化合物最可能构象 (0/400) mountwar 2011-01-09 2011-01-09 19:50:49 by mountwar
[MS] 【求助完毕】Windows下无法提交任务到Linux不运行 (5/553) gongxd325 2011-01-07 2011-01-09 16:50:26 by china1949
[MS] 【求助】MS安装 (11/889) 龙牙山 2010-12-26 2011-01-09 16:31:25 by amynihao
[MS] [关贴]【求助】求助empty bands 设置,请具体说明怎么设置。 (1/575) g.s923 2011-01-09 2011-01-09 12:12:57 by dlthl
[MS] 【求助】MS4.4计算显示问题    ( 1 2 ) (10/939) aliceyu 2010-12-30 2011-01-08 22:37:16 by lbambool
[MS] 【求助】c如何吸附在二氧化钛的表面    ( 1 2 3 ) (20/1135) guolianshun 2010-07-13 2011-01-08 22:12:26 by zzy870720z
[MS] 【求助成功】急求linux中DMol3的inputfile脚本编写格式? (2/453) lwg020810 2011-01-07 2011-01-08 10:14:32 by lwg020810
[MS] 【求助】dmol中间产物 (2/522) charityqi 2010-12-29 2011-01-07 22:31:53 by charityqi
[MS] 【求助】关于spin polarized的选项 (4/666) dare 2011-01-06 2011-01-07 21:03:28 by xianggui7895
[MS] 【其他】磁无序怎么用MS建模型 (0/379) piao2004ha 2011-01-07 2011-01-07 18:43:01 by piao2004ha
[MS] 【求助】过渡态搜索 (0/398) charityqi 2011-01-07 2011-01-07 15:31:26 by charityqi
[MS] 【求助】超胞的内原子坐标问题 (3/563) guolianshun 2010-09-03 2011-01-07 15:19:13 by guolianshun
[MS] 【求助】castep模块在加压的过程中如何获得应力应变曲线 (2/1105) qx08131989 2010-12-18 2011-01-07 14:36:05 by truemantwo
[MS] 【求助】MS使用perl语言编程,怎么计算有机分子从水相运动到有机相的自由能变化? (2/445) 5858797 2011-01-07 2011-01-07 13:09:19 by 5858797
[MS] 【求助】MS建模后导出.celll文件出错是怎么回事 (8/1150) 夕阳西下 2011-01-06 2011-01-07 07:55:40 by zzy870720z
[MS] 【求助】关于MS其他模块的教程 (5/898) Excaliburn 2011-01-06 2011-01-06 21:48:27 by lbambool
[MS] 【求助】大家看一下我的这个计算机配置行不行    ( 1 2 ) (16/1304) Excaliburn 2011-01-04 2011-01-06 18:28:26 by gongjijun
[MS] 【求助】诡异的磁性 (5/773) nodding 2011-01-06 2011-01-06 16:47:46 by nodding
[MS] 【求助】求助,求助 (0/262) dingwei8108 2011-01-06 2011-01-06 15:48:47 by dingwei8108
[MS] 【求助】MS5.0能带计算问题? (0/204) ddang100 2011-01-06 2011-01-06 15:48:13 by ddang100
[MS] 【求助】原子与分子物理学报怎么样 (15/2935) liujie5631 2010-12-27 2011-01-06 10:38:49 by hedaors
[MS] 【求助】纳米晶晶格常数变化表示。 (0/164) liwh1990 2011-01-06 2011-01-06 10:13:14 by liwh1990
[MS] 【求助】怎样画能带 (6/711) convenient 2011-01-05 2011-01-06 09:55:04 by convenient
[MS] 【求助】MS如何建立掺杂原子或者替位原子的模型 (1/1481) 夕阳西下 2011-01-05 2011-01-05 23:27:01 by cg陈
[MS] 【求助】Barde charge 是什么东西? (5/1123) freshman8185 2011-01-05 2011-01-05 22:22:08 by beefly
[MS] 【求助】请问在MS中怎么画出这个图? (2/506) 缺心眼桌 2010-12-30 2011-01-05 21:18:40 by 夕阳西下
[MS] 【求助】催化反应过程中能垒 (1/2769) 沉默是金8138 2011-01-05 2011-01-05 16:38:37 by ellsaking
[MS] 【求助】计算完之后没有结果怎么办 (6/514) liuhongge1 2011-01-04 2011-01-05 15:35:15 by liuhongge1
[MS] 【求助】castep计算dos时,返回文件有错 (1/152) sendy 2011-01-05 2011-01-05 15:08:32 by sendy
[MS] 【求助】声子计算 (金币≥10)(7/121) akun22951 2011-01-02 2011-01-05 14:20:52 by akun22951
[MS] 【求助】N原子的能量计算 (6/1022) zhanglx8632 2011-01-04 2011-01-05 13:09:01 by zhanglx8632
[MS] 【求助】固定部分原子的分数坐标 (0/715) astrolia 2011-01-05 2011-01-05 11:01:27 by astrolia
[MS] 【求助】如何把分子简化成球体?如何设置呢? (1/312) 5858797 2011-01-05 2011-01-05 10:21:01 by zorro1984
[MS] 【求助】储氢的实验方面的求助 (2/306) xuelian172 2010-12-30 2011-01-05 09:23:59 by xuelian172
[MS] 【求助】MS计算技巧? (0/214) 5858797 2011-01-05 2011-01-05 09:04:50 by 5858797
[MS] 【求助】周期性计算和团簇计算的区别 (1/480) sunzhiguo 2011-01-04 2011-01-04 22:17:24 by ym23
[MS] 【求助】请问有人做过离子吸附的吗? (1/256) wen0302 2011-01-03 2011-01-04 21:43:38 by cg陈
[MS] 【求助】Lennard-Jones (LJ) potential是什么,在那里选 (2/1239) sunzhiguo 2011-01-03 2011-01-04 21:32:52 by ym23
[MS] [关贴]【求助】DFT筛选催化剂助剂 (0/267) jdy19862002 2011-01-04 2011-01-04 21:24:35 by jdy19862002
[MS] 【求助】MS能建立氟化物晶体模型么,像氟化镧之类的 (3/529) 不是人间焰火 2011-01-02 2011-01-04 19:05:11 by ridge8888
[MS] 【求助】如何建立TiO2纳米管模型 (0/447) dingniu2 2011-01-04 2011-01-04 17:45:06 by dingniu2
[MS] [关贴]【讨论】MS5.0有linux版的吗? (5/657) gaussian08 2010-01-12 2011-01-04 10:04:03 by youzhizhe
[MS] 【求助】请大家帮我分析一下态密度图    ( 1 2 ) (13/1852) zhangzhiweia 2010-10-05 2011-01-04 09:59:29 by guolianshun
[MS] 【求助】CASTEP 中几何优化错误 (4/896) xiaokun_0086 2010-12-28 2011-01-04 08:40:47 by xiaokun_0086
[MS] 【求助】Gulp中的几何优化,MD等和Dmol3的中的有什么区别?    ( 1 2 ) (11/2686) 麒麟半仙 2010-09-01 2011-01-03 23:46:20 by cg陈
[MS] 【求助】CASTEP需联网吗? (5/1133) dlthl 2011-01-03 2011-01-03 21:32:47 by shiqiuxiang
[MS] 【求助】求MS4.3或以上linux版 (1/301) asaruda 2010-11-08 2011-01-03 19:45:07 by llg1987
[MS] 【求助】CASTEP中电子密度单位? (0/557) freshman8185 2011-01-03 2011-01-03 10:27:09 by freshman8185
[MS] 【求助】优化后晶胞参数变化很大怎么办。 (1/558) heihu120 2011-01-02 2011-01-02 18:33:42 by zzy870720z
[MS] 【求助】xtd不包含轨迹 (0/298) realzhen5881 2011-01-02 2011-01-02 09:52:05 by realzhen5881
[MS] 【求助】MS 中的gaussian模块和单独的gaussian 03等软件有什么区别 (评阅+1) (1/711) Excaliburn 2010-12-31 2011-01-01 23:54:06 by pro_junjie
[MS] 【求助】为什么MS不能双核运行 (5/497) CQC2010 2010-12-29 2011-01-01 17:07:52 by CQC2010
[MS] 【原创】MS初级班讲义修改意见 (24/3451) flymice 2010-12-22 2011-01-01 00:40:20 by xjxj1xjxj
[MS] 【求助】MS5.0版计算出错,请高手指点,谢谢 (0/467) nica 2010-12-31 2010-12-31 14:42:23 by nica
[MS] 【求助】问一个运行MS计算的基本问题 (3/690) xianggui7895 2010-12-30 2010-12-31 14:06:15 by Excaliburn
[MS] 【求助】MS用哪个版本的比较好? (3/485) sikasun 2010-12-31 2010-12-31 13:58:39 by Excaliburn
[MS] 【求助】MS5.5运行问题 (0/198) aliceyu 2010-12-31 2010-12-31 13:41:12 by aliceyu
[MS] 【求助】MS5.0中dmol3 计算分子轨道的问题 (0/669) zeozhou 2010-12-31 2010-12-31 10:27:36 by zeozhou
[MS] 【求助】用hessian矩阵算振动频率的问题 (2/662) shaopeng6539 2009-06-28 2010-12-31 10:07:24 by yasistar
[MS] 【求助】hessian (2/323) shaopeng6539 2009-09-08 2010-12-31 10:02:39 by yasistar
[MS] 【求助】请问有人晓得用ms中的DMOL3怎么算频率吗? (1/613) huakai8710 2010-10-06 2010-12-31 09:54:12 by yasistar
[MS] 【求助】MS 可以算金属的结构相变、态密度等吗? (1/384) ridge8888 2010-12-30 2010-12-31 09:21:14 by 材料小宝宝
[MS] 【求助】Linux 下MS计算 (评阅+3) (7/1280) sss3012 2010-12-28 2010-12-30 16:02:39 by youzhizhe
[MS] 【求助成功】关于M-S运行出错的求助 (7/977) llg1987 2010-12-28 2010-12-30 15:51:06 by llg1987
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