24小时热门版块排行榜    

管理团队 (金币库 69399.5 充值 )

主管区长:
月只蓝小红豆
主管版主:
abinitio沙漠猎人

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] “人文社科而论,许多学术研究还没有达到民国时期的水平” 苏东坡二世 2026-02-24 刚刚
[MS] [已完结]MS 动力学 :冻结问题 (4/697) xiuhui 2012-04-21 2012-04-23 10:51:04 by caijj09
[MS] MS的传承--雁过留声 (评阅+5) (2/552) 王小一 2012-02-26 2012-04-22 22:23:11 by wgk1207
[MS] [已完结]求助 (0/124) 1026580419 2012-04-21 2012-04-21 23:15:16 by 1026580419
[MS] [已完结][关贴]MS5.0的CCDC模块使用时出现的问题 (1/252) 北木 2012-04-21 2012-04-21 11:02:20 by 北木
[MS] [已完结]求Ln(4CH2OH-DPA)3的pdb或是cif格式的文件,谢谢 (0/278) pyymayday 2012-04-21 2012-04-21 10:20:23 by pyymayday
[MS] [已完结]求SAPO-34分子筛的cif文件 (2/868) laolu113 2012-03-22 2012-04-21 08:34:20 by laolu113
[MS] [已完结]ds做动力学优化 (6/967) yuguangyun 2012-04-17 2012-04-20 18:46:43 by yuguangyun
[MS] [已完结]这个错误提示怎么回事? (4/486) mumun 2012-04-18 2012-04-20 16:40:27 by mumun
[MS] [已完结]MS安装求助    ( 1 2 ) (18/749) 六世之爱 2012-03-14 2012-04-20 09:09:33 by pfabc0826
[MS] MS模拟中压力和温度有大小限制吗? (2/520) zergstormor 2012-04-19 2012-04-19 21:03:24 by zergstormor
[MS] [已完结]dynamics time是不是驰豫时间? (3/798) wangyiyongwz 2012-04-19 2012-04-19 20:16:04 by zx2456
[MS] [已完结]MS分子模拟的截断半径该怎么设? (4/2236) xiuhui 2012-04-18 2012-04-19 09:19:29 by q1036210267
[MS] [已完结]请求帮忙计算一下N2,CH4,CO2这三种分子的极化率! (0/1565) 1278183288 2012-04-18 2012-04-18 20:58:54 by 1278183288
[MS] [已完结]请问minimizer 后一定要收敛吗? (6/1229) xiuhui 2012-04-17 2012-04-18 17:34:17 by chaizhm
[MS] [已完结]急求,谢谢各位给出宝贵意见 (9/1036) sqbin0615 2012-04-13 2012-04-18 11:36:55 by chaizhm
[MS] [已完结]MS安装出问题,求指导? (2/319) yy1408 2012-04-17 2012-04-18 10:36:54 by hautchunfeng
[MS] [已完结]请问MS模拟中提示Error: Energy - nonbond: ......... (3/803) wangyiyongwz 2012-04-17 2012-04-18 10:13:06 by wangyiyongwz
[MS] [已完结]外行向各位高手请教一下使用ms或者类似软件如何实现晶格嵌套图?比如图示的样子。 (3/931) MANOWAR 2012-04-16 2012-04-17 20:50:33 by zdms
[MS] [已完结][关贴]用MS如何计算界面超量,在水油界面处的界面超量 (0/224) wp2178337 2012-04-17 2012-04-17 20:49:22 by wp2178337
[MS] [已完结]MS里切表面后build layers和晶格 redefine lattice后build layers结果相同吗? (1/1274) liyangsdu 2012-04-16 2012-04-17 18:04:29 by xiaowu787
[MS] [已完结][关贴]用过Discover的虫子进来帮下忙 (1/357) caijj09 2012-04-16 2012-04-17 10:11:43 by 青菜001
[MS] MS模拟体系中水分子数目应该怎样设置? (9/2419) wangyiyongwz 2012-04-13 2012-04-16 23:23:22 by caijj09
[MS] 怎样在MS中模拟聚合物在碱性溶液下脱乙酰基~ (0/508) wangyiyongwz 2012-04-16 2012-04-16 17:33:34 by wangyiyongwz
[MS] [已完结][关贴]模拟有机分子在固体表面吸附出现问题 (0/715) caijj09 2012-04-16 2012-04-16 10:04:31 by caijj09
[MS] [已完结]二氧化硅地层吸水模型如何建立 谢谢啦 (2/657) hjfdgg 2012-04-13 2012-04-14 21:28:36 by hjfdgg
[MS] [已完结]本人新手,希望学做分子筛,希望各位大侠给点意见。。。。。。。。。 (4/791) 一起来化学 2012-04-09 2012-04-14 10:43:52 by caijj09
[MS] [已完结][关贴]怎么把离子加到 已经切好的表面 (0/191) caijj09 2012-04-14 2012-04-14 10:41:16 by caijj09
[MS] [已完结]MS 用Dmol3时出现问题,求高手解答    ( 1 2 ) (10/1115) caijj09 2012-04-13 2012-04-14 08:50:22 by 安德
[MS] [已完结]分子模拟期刊 (5/868) liliyin 2012-02-20 2012-04-13 17:36:55 by caijj09
[MS] [已完结]hyperchem的数据在哪? (1/553) spit 2012-04-09 2012-04-13 17:04:54 by janet466158
[MS] [已完结]TINKER中使用NPT系综应该如何设定初始压力使其保持在1atm (0/373) zhangnaxf 2012-04-13 2012-04-13 10:58:15 by zhangnaxf
[MS] [已完结]anti-Jander模型的物理意义和原始假设的文献 (0/470) hanxinghan 2012-04-13 2012-04-13 10:20:25 by hanxinghan
[MS] [已完结]summarized population analysis 各个数据代表什么意思,怎么知道一个分子的磁性? (0/465) hth1289 2012-04-12 2012-04-12 21:59:06 by hth1289
[MS] [已完结][关贴]MS 优化时能量一直剧烈波动该怎么处理 (评阅-5) (3/1227) caijj09 2012-04-11 2012-04-12 16:44:04 by caijj09
[MS] Anneal 优化结构的问题 (2/894) 零度不结冰 2012-02-29 2012-04-12 16:11:53 by mutueng
[MS] [已完结]大侠好,求助 (0/134) 水影恋镜 2012-04-12 2012-04-12 10:47:17 by 水影恋镜
[MS] [已完结]key文件??? (0/141) zxl523 2012-04-12 2012-04-12 09:16:52 by zxl523
[MS] [已完结]Pd常用的基组。。。。 (1/412) 一起来化学 2012-04-10 2012-04-11 18:44:23 by 一起来化学
[MS] 中科大MS教程从哪里能搞到完整版的? (3/2267) wudiliuyisi 2012-04-06 2012-04-10 19:12:53 by caijj09
[MS] [已完结]MS里如何计算X-射线衍射光谱? (3/951) weiyongkai 2012-04-10 2012-04-10 15:53:20 by caijj09
[MS] 分子动力学势函数 (6/2208) fcg200808 2012-03-14 2012-04-10 11:21:00 by chaizhm
[MS] [已完结]能否用MS来计算氢键的能量? (0/719) a123hu3075 2012-04-10 2012-04-10 09:55:09 by a123hu3075
[MS] [已完结]如果蛋白序列N或者C末端多了6个组氨酸,怎么分析蛋白结构呢? (4/1510) cclion 2012-04-08 2012-04-09 22:41:22 by cclion
[MS] [已完结]氯离子在高聚物中的扩散问题 (0/275) 青菜001 2012-04-09 2012-04-09 19:53:59 by 青菜001
[MS] [已完结]MS吸附能如何取平均值 (6/1269) xiuhui 2012-04-06 2012-04-09 08:59:09 by 青菜001
[MS] [已完结]在MS计算建模中,晶胞中分子个数对于结算结果HOMO,LUMO有影响吗? (0/327) hth1289 2012-04-08 2012-04-08 16:54:49 by hth1289
[MS] [已完结]请问谁知道怎么在MS中设置晶胞内分子的个数 比如(TiO2)16 (TiO2)4 (1/1004) hth1289 2012-04-07 2012-04-07 22:46:34 by chaizhm
[MS] *.xyz文件import无法进行咋回事 (11/1812) zergstormor 2012-04-02 2012-04-05 14:53:09 by zergstormor
[MS] [已完结]用MS构建羟基磷灰石的模型 (3/1268) aoteman6 2012-04-03 2012-04-04 20:41:30 by UncleAhead
[MS] [已完结]用Ms软件切偏矾酸铯晶体的厚度 (0/198) tomoyaayu 2012-04-04 2012-04-04 09:32:12 by tomoyaayu
[MS] [已完结]adsorption locator和sorption (1/1802) 雨中树下 2012-02-24 2012-04-03 22:12:35 by alphawei
[MS] [已完结]forcite的restart (0/516) tsadaye 2012-04-03 2012-04-03 00:17:18 by tsadaye
[MS] [已完结]ERROR: Expected same number of atoms in original scope and copy. (0/216) GTF1902 2012-04-01 2012-04-01 13:16:05 by GTF1902
[MS] 请教各位,分子动力学模拟NVE系统,不对速度进行标度可以吗? (7/2574) fannieyang 2012-03-12 2012-04-01 10:48:16 by zx2456
[MS] [已完结]怎样进行这个高分子聚合物的模拟? (0/2167) wangyiyongwz 2012-04-01 2012-04-01 10:27:34 by wangyiyongwz
[MS] [已完结]求本书的答案 (1/245) zyj8119 2012-04-01 2012-04-01 09:47:35 by lixiang_0807
[MS] [已完结]SAPO-34 的晶体模型 (1/385) yg1570 2012-03-29 2012-03-31 22:58:58 by zyj8119
[MS] [已完结]unable to save molecular state? (2/269) 宝珠珠宝 2012-03-31 2012-03-31 18:27:20 by itsok
[MS] [已完结]ms使用出问题 (4/758) 江xiao鱼 2012-03-31 2012-03-31 16:17:26 by aoteman6
[MS] [已完结][关贴]Discover中怎样用BTCL编程计算两组分子之间的相互作用能 (0/451) vallen 2012-03-31 2012-03-31 15:43:55 by vallen
[MS] [已完结]MS 分析数据 Angle distribution, Dihedral angle (0/963) mengsk 2012-03-31 2012-03-31 12:43:19 by mengsk
[MS] [已完结]关于漆酶分子结构中4个铜原子的构型,请各位高手帮帮忙啊 (0/837) kizikulo 2012-03-31 2012-03-31 10:43:51 by kizikulo
[MS] [已完结]关于linux下的MS5.5使用Gateway无法进行计算的求助 (4/963) xztjhs 2012-03-26 2012-03-30 23:41:14 by xztjhs
[MS] [已完结]请教 分子动力学模拟 氰酸酯树脂的模型 (2/375) pyy19890619 2012-03-26 2012-03-30 18:55:24 by itsok
[MS] [已完结][关贴]sorption使用的方法 (1/601) premonkey 2012-03-28 2012-03-30 15:47:23 by premonkey
[MS] [已完结]吸附 (0/344) 雨中树下 2012-03-29 2012-03-29 20:21:04 by 雨中树下
[MS] [已完结]铁配合物活化分子氧模型 (0/184) snowbaby13 2012-03-29 2012-03-29 19:57:38 by snowbaby13
[MS] [已完结]做一个模拟的酶与抑制剂结合的三D图 (8/1119) 有机化学2005 2012-03-28 2012-03-29 12:47:20 by blue_cat
[MS] 弥散材料热导率怎么来模拟,用什么模型??? (1/396) wxz1983 2012-03-27 2012-03-28 22:54:20 by 丁丁1812
[MS] [已完结]MS中两个模型间如何复制粘贴? (0/1132) wesley67 2012-03-28 2012-03-28 21:47:16 by wesley67
[MS] [已完结]新手求助怎么用MS实现分子振动 (0/561) 揍用力 2012-03-28 2012-03-28 20:58:29 by 揍用力
[MS] [已完结]atom ID ............. (0/222) zxl523 2012-03-28 2012-03-28 08:47:16 by zxl523
[MS] [已完结]关于“溢出”的问题 (6/770) 江xiao鱼 2012-03-19 2012-03-28 08:23:28 by 973489386
[MS] [已完结]模拟杂质原子对晶体物性影响 (1/297) zzfphy 2012-03-27 2012-03-27 19:27:40 by chaizhm
[MS] [已完结]复合中心 or 陷阱 (0/1374) xiaoluoj 2012-03-26 2012-03-26 13:13:48 by xiaoluoj
[MS] [已完结]想用MS来研究有机反应羟醛缩合的机理,请问哪位高手能给我提供一下类似文献? (4/1173) good---apple 2012-03-25 2012-03-26 11:27:21 by ti_pn
[MS] [已完结]MS 动力学计算 步数设置    ( 1 2 ) (13/2522) 江xiao鱼 2012-03-23 2012-03-26 11:09:06 by 江xiao鱼
[MS] [已完结]quasiclassical trajectory 理论做计算投稿 (1/331) 510528246 2012-03-23 2012-03-25 16:51:42 by arthur45415
[MS] discover 模拟问题 (3/520) 973489386 2012-03-23 2012-03-24 08:10:40 by 青菜001
[MS] [已完结]动力学计算过程:时间步长、步数一般设置为多少?    ( 1 2 ) (10/8696) 江xiao鱼 2012-03-17 2012-03-23 14:28:33 by meilanjuhao
[MS] [已完结]关于碳纳米管仿真加电场 (2/497) 雨中树下 2012-02-26 2012-03-22 21:35:51 by 杨佳旭
[MS] 一台机子同时装Material Studio与Discovery Studio的问题 (1/1250) lq780928 2012-03-22 2012-03-22 16:46:41 by ts2009
[MS] 求助中 (1/273) hjfdgg 2012-03-21 2012-03-22 10:59:12 by powny
[MS] [已完结][关贴]模拟液体吸附,逸度和压力怎么转换 (1/1316) premonkey 2012-03-13 2012-03-22 09:28:29 by premonkey
[MS] [已完结]CVFF_aug Ti原子的键参数 (0/545) 零度不结冰 2012-03-22 2012-03-22 09:14:16 by 零度不结冰
[MS] [已完结]DNA数据库 (0/821) 微笑旅途 2012-03-21 2012-03-21 12:56:22 by 微笑旅途
[MS] [已完结]空间分布函数 (0/663) 973489386 2012-03-20 2012-03-20 20:14:41 by 973489386
[MS] [已完结]请教一个MS中Polymorph模块的相关问题 (0/394) swollow321 2012-03-20 2012-03-20 15:15:38 by swollow321
[MS] [已完结]30金币求linux 下的MS4.4 (0/147) yiyayi 2012-03-19 2012-03-19 17:58:46 by yiyayi
[MS] [已完结]求助啊! Equilibrium Morphology的使用要求是什么 对晶体模型有什么要求 (0/320) vivi_131499 2012-03-19 2012-03-19 16:10:59 by vivi_131499
[MS] [已完结]优化结构出错,没提示在哪错的,求助! (6/1838) shangxh 2011-11-04 2012-03-19 13:53:25 by frank797
[MS] [已完结]用dmol模块做有机物分子结构模拟参数设置问题 (6/962) eden 2012-03-08 2012-03-19 12:03:21 by vv_tian78
[MS] [已完结]MS 用CASTEP计算失败,gateway的问题 (5/2135) coyboy1 2012-02-05 2012-03-17 11:55:39 by hwceng0816
[MS] [已完结]跪求 (0/144) S100161711 2012-03-16 2012-03-16 09:54:13 by S100161711
[MS] 如何采用material studio计算均方回转半径 (0/3152) kingswordscu 2012-03-15 2012-03-15 16:08:10 by kingswordscu
[MS] 如何实用Equilibrium Morphology计算 (1/489) vivi_131499 2012-03-14 2012-03-15 11:13:54 by vivi_131499
[MS] [已完结]discover 模拟密度问题 (0/236) 973489386 2012-03-14 2012-03-14 19:25:23 by 973489386
[MS] [已完结]对称分子的模拟建立 (4/867) jixiao0526 2012-03-04 2012-03-14 11:59:41 by o58285880
[MS] [已完结]MS rutileTiO2(110)表面建模 (2/1203) 573846297 2012-03-13 2012-03-14 08:51:58 by chaizhm
相关版块跳转
查看