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[热点] 售SCI一区T0P文章,我:8.O.55.1.O54,科目全,可伽急 C6CRn66RYYXS 2026-11-15 刚刚
[MS] [已完结]求问一个空间结构的问题 (0/433) flymice 2012-05-22 2012-05-22 16:24:15 by flymice
[MS] [已完结]求问石墨烯在计算吸附的时候是否需要固定原子 (4/1067) flymice 2012-04-25 2012-05-22 14:02:11 by flymice
[MS] [已完结]关于原子坐标的问题 (4/964) pariah 2012-05-21 2012-05-22 10:18:08 by pariah
[MS] [已完结]求Ta2N3的晶格结构参数 (5/1093) 2008034021 2012-05-15 2012-05-22 08:42:08 by 2008034021
[MS] 【求助】我是菜鸟,请教用ms预测微纳晶体的生长情况 (8/2351) barrenpastor 2010-06-03 2012-05-22 08:37:05 by lxj1989
[MS] 【求助】MS5.0 DMol3 计算频率出现问题 请教 (5/1446) 涅磐BornFirn 2010-09-30 2012-05-22 06:48:13 by lingmingli
[MS] [已完结]castep分析出来的能带和态密度图 (4/1755) 谜样渣化君 2012-05-20 2012-05-21 22:57:58 by 谜样渣化君
[MS] [已完结]关于CASTEP的一些问题 (0/1694) fengshiquan 2012-05-21 2012-05-21 21:28:06 by fengshiquan
[MS] [已完结]求使用关键字rattle限制水分子模型的具体步骤,急需啊!! (2/346) 量化新手 2012-05-15 2012-05-21 17:02:13 by 量化新手
[MS] [已完结]Fe3C中几个面的表面能排序 (5/1171) gy850501 2012-04-02 2012-05-21 15:36:46 by njut
[MS] [已完结]苯在MFI分子筛上建模的问题,急急急急!! (2/455) 姜奕jy 2012-05-21 2012-05-21 15:20:31 by 姜奕jy
[MS] [已完结]声子谱远程计算 (0/542) janet2012222 2012-05-21 2012-05-21 10:51:32 by janet2012222
[MS] [已完结]如何用MS 计算轨道的杂化? (5/1463) nnwang 2012-05-08 2012-05-21 10:33:34 by iamikaruk
[MS] [已完结]寻高手下Bi(NO3)3和Na2SiO3的cif文件 (2/697) youzhiren 2012-05-15 2012-05-21 10:29:51 by youzhiren
[MS] [已完结]用MS指标化一个粉晶图,想在文章中发表,怎么说明版权问题? (5/1035) toya 2012-05-17 2012-05-21 10:13:54 by may_gloomy
[MS] 【求助】CASTEP计算的电子密度的单位?    ( 1 2 ) (17/2736) freshman8185 2011-02-25 2012-05-21 08:12:35 by wuguohao111
[MS] 精华I:  【分享】在linux下安装ms4.4    ( 1 2 ) (65/15579) yhlllf 2009-03-10 2012-05-21 05:46:41 by farfaraway08
[MS] 【求助】关于精度和k点设置的疑问    ( 1 2 ) (评阅+1) (13/3852) astrolia 2010-08-02 2012-05-20 17:46:46 by xuxi1
[MS] [已完结]氧化铜和氧化亚铜的掺杂 (0/876) 502046783 2012-05-20 2012-05-20 15:41:57 by 502046783
[MS] [已完结]关于A15型材料如何建立超晶胞以及掺杂的问题? (0/910) gouziguai945 2012-05-20 2012-05-20 09:10:18 by gouziguai945
[MS] 【求助】ZnS 纳米结构建模 (4/1693) jieweiwei 2010-05-15 2012-05-20 07:50:14 by feixue163
[MS] [已完结]请教用MS建纳米线的一个具体操作问题 (7/2097) xiongxiong5712 2011-10-02 2012-05-20 06:58:53 by feixue163
[MS] [已完结]求助:麻烦哪位高手指导建一个氮化铜的晶格模型。。。我计算总是fail    ( 1 2 ) (13/1617) yizhimantou 2012-05-18 2012-05-19 21:24:36 by yizhimantou
[MS] [已完结]castep算出来的结果最后一步的能量是哪一个?急! (9/2663) 谜样渣化君 2012-05-16 2012-05-19 10:31:48 by k_now
[MS] 请教MS castep运算时间的问题 (7/1851) shuimupipi 2012-05-18 2012-05-19 06:29:53 by 终寻
[MS] [已完结]MS 氢键 (0/372) anlen0615 2012-05-18 2012-05-18 22:00:56 by anlen0615
[MS] 【求助】学术报告 (评阅-2) (4/1088) 霍萌 2010-04-17 2012-05-18 19:47:52 by k_now
[MS] [已完结]请高手看一下,这样的配置为什么不能运行MS5.0    ( 1 2 ) (13/1591) ping888 2012-05-16 2012-05-18 15:41:54 by lbambool
[MS] [已完结]Dmol3提交任务无错误提示,但服务器终端不执行实质计算 (0/362) zxy964777869 2012-05-18 2012-05-18 15:31:40 by zxy964777869
[MS] [已完结]castep计算单点能的几何优化问题    ( 1 2 ) (12/4073) zhuzhudgyg 2012-04-21 2012-05-18 09:16:27 by zhuzhudgyg
[MS] [已完结]高手帮忙看看这张图能够得到什么信息 (5/861) 学员MQJm92 2012-05-16 2012-05-17 22:38:18 by liu108
[MS] [已完结]关于集群计算 (0/1044) janet2012222 2012-05-17 2012-05-17 20:05:52 by janet2012222
[MS] [已完结]Dmol中进行TS optimization如何选择频率 (2/849) cshcgy 2012-04-18 2012-05-17 15:58:59 by 落雨辰砂
[MS] [已完结]求可用于MS输入文件的 2H晶系的MoS2,WS2输入文件 (1/765) jiewei 2012-05-17 2012-05-17 15:17:25 by fzx2008
[MS] [已完结]castep 关于截断能 (1/966) 谜样渣化君 2012-05-17 2012-05-17 15:07:54 by 谜样渣化君
[MS] [已完结]大家有做淬火的没? (5/1233) dq20081935 2012-05-15 2012-05-17 12:58:13 by dq20081935
[MS] [已完结]对掺杂的石墨进行结构优化,计算失败了。。 (0/545) qi-cheng 2012-05-17 2012-05-17 11:24:35 by qi-cheng
[MS] [已完结]分子动力学计算 (4/1393) shui449 2012-05-16 2012-05-17 10:27:42 by shui449
[MS] MS一个project最大能做到多大,我做的近1G了,然后就出问题了~ (9/2057) 安德 2012-05-13 2012-05-17 09:05:56 by 安德
[MS] [已完结]请问Mg2和Zn1的点阵位置是怎样的 ,他们两个为什么会有相同的参数,sof又是什么意思 (6/1328) juyang1989 2012-05-16 2012-05-16 18:58:33 by juyang1989
[MS] [已完结]急求MS4.4版本! (2/367) zhuzhudgyg 2012-05-16 2012-05-16 18:07:25 by zhuzhudgyg
[MS] [已完结][关贴]一种物体的?园菸露仁嵌ㄖ德穑� (2/424) 学员MQJm92 2012-05-16 2012-05-16 17:15:12 by liu108
[MS] [已完结]现在正在用MS4.4 想换成5.0或者5.5 (8/1898) leachmond 2011-11-20 2012-05-16 16:12:47 by zhuzhudgyg
[MS] [已完结]DMol3优化参杂石墨烯后,构型不变,求解 (6/1937) ywb2254 2012-05-07 2012-05-16 15:27:11 by fffyyy123
[MS] 大家帮我看看MS优化之后为什么会这样 (1/548) 026li 2012-05-16 2012-05-16 15:20:24 by fffyyy123
[MS] 饱和断键的方式不同,优化构型差别大 (0/392) 026li 2012-05-16 2012-05-16 13:13:44 by 026li
[MS] [关贴]分子筛磷酸铝体系的,断键用什么饱和? (0/297) 026li 2012-05-16 2012-05-16 13:02:36 by 026li
[MS] CASTEP Geometry Optimization (24/6502) xylz6188 2011-11-24 2012-05-16 07:58:26 by 415999915
[MS] 求助 castep计算各向异性值A (评阅-5) (0/541) hwceng0816 2012-05-15 2012-05-15 22:51:43 by hwceng0816
[MS] [已完结]Dmol3 电场方向的问题 (2/967) monolayer 2012-05-13 2012-05-15 22:02:42 by monolayer
[MS] [已完结]求问用DMOL3优化石墨烯结构,K点如何设置? (2/1705) flymice 2012-05-11 2012-05-15 19:39:07 by liu108
[MS] 【求助】铁磁性反铁磁性以及非磁性的设置计算 石墨烯纳米带 (6/2350) wangth08 2010-11-16 2012-05-15 18:19:10 by mengfc
[MS] [已完结]CASTEP建模计算求助:关于氮化铜计算 (5/2424) yizhimantou 2012-05-12 2012-05-15 15:24:32 by 神龍
[MS] [已完结]castep改变参数的问题 (0/368) 谜样渣化君 2012-05-15 2012-05-15 14:40:01 by 谜样渣化君
[MS] [已完结][关贴]急!!!castep固定体积的几何优化问题 (0/329) zhuzhudgyg 2012-05-15 2012-05-15 12:48:19 by zhuzhudgyg
[MS] [已完结]有没有对表面很懂行的? 求助关于表面再构的问题 感谢!!!!! (3/1876) xingkai2569 2012-05-13 2012-05-15 12:42:01 by liu108
[MS] [已完结]如何用MS模拟硫化铅 (3/894) gd19900305 2012-05-14 2012-05-15 12:32:29 by liu108
[MS] Si管的能带-MS-dmol3模块 (0/436) mikejwg 2012-05-15 2012-05-15 11:23:59 by mikejwg
[MS] [已完结]如何查询Y2Mg3Zn3中各原子所处在的位置和点阵参数 (2/393) juyang1989 2012-05-14 2012-05-15 11:13:44 by juyang1989
[MS] [已完结]NaBiO3·2H2O(二水铋酸钠)如何建模 (1/827) ljjhb1 2012-05-15 2012-05-15 10:50:43 by liu108
[MS] [已完结]布局分析 键布局 系统分析    ( 1 2 ) (10/3215) hwceng0816 2012-04-16 2012-05-15 08:28:34 by hwceng0816
[MS] [已完结]MS软件gateway failed to start,急求助!!! (2/897) caihjk123 2012-03-28 2012-05-14 15:54:36 by 天气就是风景
[MS] 哪个才是MS并行计算优化之后的输出结果? (9/1449) 026li 2012-05-11 2012-05-14 10:29:51 by 026li
[MS] 求助 利用CASTEP 做计算的文章一般可以投哪些期刊? (评阅-15) (7/1922) hwceng0816 2012-05-13 2012-05-14 09:35:13 by luobenhua
[MS] 如何用MS模拟样品的气体吸附曲线 (3/1016) sunnyhx 2012-05-11 2012-05-14 09:26:49 by sunnyhx
[MS] [已完结]求助 态密度的带隙怎么看?另外第一性原理的内幕是怎样的 (2/643) hwceng0816 2012-04-16 2012-05-13 21:01:31 by 付氏变换
[MS] 【求助】用什么方法算含有氢键的体系比较好 (2/552) znegluomei 2011-03-04 2012-05-13 19:42:17 by superfcc
[MS] [已完结]由氢键结合的分子的结合能 (2/1482) lorena 2011-12-28 2012-05-13 19:40:11 by superfcc
[MS] 【求助】计算AlN的态密度请教 (4/1589) lxrui 2011-03-18 2012-05-13 16:54:45 by 飞哥000
[MS] [已完结]MS中石墨烯储氢研究,求助!!!!! (1/494) musicr 2012-05-13 2012-05-13 15:55:13 by fffyyy123
[MS] [已完结]几何优化中能量单调下降,是否可说此过程中无势垒? (2/401) fffyyy123 2012-03-28 2012-05-13 13:49:42 by fffyyy123
[MS] MS软件中重新建立模型的具体步骤 (0/364) yongxin9013 2012-05-13 2012-05-13 10:31:48 by yongxin9013
[MS] [已完结]MS中原子的大小怎么设置?? (2/4037) lijuanshu 2012-05-07 2012-05-13 09:02:28 by sunboyccc
[MS] [已完结]Redhat/Centos 集群 MS安装 (4/1344) jq120 2012-05-11 2012-05-12 23:47:25 by 04nylxb
[MS] MS-6 中的Raman计算问题! (13/2257) aibude163 2012-05-03 2012-05-12 20:50:44 by hjlyyc
[MS] 【求助】求助 MS 4.4 或 5.0 license (6/1618) sss3012 2010-09-15 2012-05-12 18:12:52 by 给我一个理由
[MS] [已完结]求问:castep模块运行出来的结果 (0/277) 谜样渣化君 2012-05-12 2012-05-12 14:20:35 by 谜样渣化君
[MS] [已完结]求MS的pbs脚本 (1/670) 04nylxb 2012-05-12 2012-05-12 08:52:07 by huangzc
[MS] [已完结]求蒙脱石的ISCD卡片,金币不是问题 (5/1354) hh19850402 2011-10-25 2012-05-12 06:59:40 by liujiansen28
[MS] [已完结]GaAs材料掺杂问题 求助!!!!!!    ( 1 2 3 ) (22/3739) yssyc 2012-05-08 2012-05-12 00:26:47 by condensed
[MS] [已完结]MS 的用户管理 (2/555) suntao1982 2012-05-11 2012-05-11 21:15:00 by vasp001
[MS] [已完结]Fe2O3 (1/436) 嗨,大家好 2012-05-10 2012-05-11 15:53:08 by shmilylxc
[MS] [已完结]石墨烯与铜111面建模问题    ( 1 2 ) (14/2819) May_lin 2012-04-26 2012-05-11 13:35:46 by flymice
[MS] [已完结]关于Au111表面吸附能大小的问题 (4/2618) piaocjj 2012-05-10 2012-05-11 11:15:00 by 流星雨
[MS] 请教用MS计算新物质性质一般步骤 (1/1052) youzhiren 2012-05-10 2012-05-11 08:49:14 by jiden
[MS] 【求助】CASTEP计算弹性常数    ( 1 2 ) (15/2905) wzh上善若水 2010-12-25 2012-05-11 06:32:26 by 夭夭小竹
[MS] [已完结]如何用MS计算不同温度下构型中原子的电子数? (1/423) nnwang 2012-05-10 2012-05-10 23:23:49 by nnwang
[MS] MS能计算不同温度下Raman位移变化吗? (0/306) youzhiren 2012-05-10 2012-05-10 21:44:52 by youzhiren
[MS] [已完结]请叫一个关于graphene非共价作用k点附近能带的问题 (3/1033) jiewei 2012-05-04 2012-05-10 19:58:43 by jiewei
[MS] [已完结]我用CASTEP计算。请问Ca2Mg6Zn3的基本信息 (1/568) lq6865387 2012-05-10 2012-05-10 19:51:32 by lq6865387
[MS] [已完结]提交作业    ( 1 2 ) (10/970) shui449 2012-05-09 2012-05-10 19:21:00 by shui449
[MS] [已完结][关贴]求助给位大侠 CCDC剑桥数据库中各种形态MnO2的空间点群 a、b、c值和分数坐标 (1/520) wudiliuyisi 2012-05-09 2012-05-10 18:51:02 by wudiliuyisi
[MS] [已完结]MS能否计算温度超过1000K的热力学数据如焓、熵 (7/3000) wangyoucheng 2012-05-08 2012-05-10 13:55:26 by 王龙辉
[MS] [已完结]如何具体用material studio进行热力学分析,计算如乙烷气体的标准焓,标准熵参数? (1/591) n370470948 2012-05-09 2012-05-09 23:59:52 by n370470948
[MS] [已完结]CASTEP输出文件显示不完整,该怎样解决? (2/550) mhjiaway 2012-05-09 2012-05-09 17:42:16 by mhjiaway
[MS] [已完结]求助Fe-H的键长 (1/729) 步步高升步步 2012-05-08 2012-05-09 16:31:42 by shmilylxc
[MS] 求助 将要买的计算机配置做CASTEP计算    ( 1 2 ) (评阅-5) (10/2332) hwceng0816 2012-05-05 2012-05-09 09:02:06 by 贺仪
[MS] [已完结]建模问题求助 (2/411) janet2012222 2012-05-08 2012-05-08 21:37:54 by mhjiaway
[MS] H-Fe之间的键长 (0/494) 步步高升步步 2012-05-08 2012-05-08 18:48:48 by 步步高升步步
[MS] 求助 德拜温度全解 (评阅-5) (2/840) hwceng0816 2012-05-05 2012-05-08 14:55:48 by guifan
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