24小时热门版块排行榜    

管理团队 (金币库 69371.3 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] A期刊撤稿 otani 2025-12-28 刚刚
[MS] [已完结]在ms中如何构建TiO2纳米模型 (6/3149) CQUTC 2013-10-22 2014-01-27 12:29:13 by 豆总
[MS] [已完结][关贴]Autodock对接构象准确性的评价——RMSD    ( 1 2 ) (评阅+1) (10/3858) liu_chen_na 2013-11-18 2014-01-23 19:37:12 by yangming98
[MS] [已完结]MS6.0安装    ( 1 2 ) (评阅+1) (12/882) staventchoke 2014-01-22 2014-01-22 21:58:52 by staventchoke
[MS] [已完结]请问一下关于粉末冶金烧结过程中扩散和相变的模拟 (评阅+1) (2/452) liubin1984 2014-01-20 2014-01-22 09:49:00 by liubin1984
[MS] [已完结]MS demol模拟有机物高温分解,为什么我模拟出的结果是化学键断裂之后然后又复合?    ( 1 2 ) (评阅+1) (10/1640) jiafeimao236 2014-01-19 2014-01-21 22:03:36 by jiafeimao236
[MS] [已完结]速度自相关函数的意义 (评阅+1) (2/6915) zhaoxinting 2014-01-09 2014-01-21 09:47:27 by zhaoxinting
[MS] [已完结]如何计算有机分子在金属表面吸附的总势能 (评阅+1) (2/1307) stjdrw 2014-01-19 2014-01-20 11:03:50 by stjdrw
[MS] [已完结]MS中非晶态SiO2的模型建立步骤求助 (1/1533) hmilydragon 2013-01-21 2014-01-20 10:42:23 by ahlongzh
[MS] [已完结]求Ni(OH)2的晶胞结构 (评阅+1) (2/856) 小小冰竹 2014-01-15 2014-01-19 20:18:20 by 小小冰竹
[MS] [已完结]gromacs 模拟时如何固定金属离子的问题    ( 1 2 ) (评阅+1) (10/2634) doudianzhu 2014-01-17 2014-01-18 15:13:19 by smutao
[MS] [已完结]MS在LINUX下安装问题 (评阅+1) (2/329) 白发魔女 2013-12-20 2014-01-18 15:05:31 by 白发魔女
[MS] [已完结]求助 (评阅+1) (1/264) zhuimeng08 2014-01-17 2014-01-17 21:25:22 by smutao
[MS] [已完结]聚合物纳米颗粒的模型怎么建立,求方法或参考文献 (2/516) jakielgh 2013-09-11 2014-01-17 19:38:44 by QiangLv1991
[MS] [已完结]LDOS与PDOS区别,以及在CASTEP中分别怎么算 (2/2061) xx4751 2013-03-04 2014-01-17 17:37:44 by hu_hui
[MS] [已完结]MS 分析分子动力学,化学键断裂后原子电荷不变,对吗?    ( 1 2 ) (评阅+1) (13/1990) jiafeimao236 2014-01-15 2014-01-17 15:34:57 by jiafeimao236
[MS] 聚苯乙烯链的模拟 (评阅+1) (5/1153) ammytao 2014-01-16 2014-01-17 09:57:05 by mzhyan
[MS] [已完结]不知道有没有人做褐煤的分子模拟 (评阅+1) (0/264) jimmyfubian 2014-01-16 2014-01-16 20:34:53 by jimmyfubian
[MS] [已完结]关于加载和弛豫的问题 (评阅+1) (0/540) honghaier90 2014-01-16 2014-01-16 10:09:27 by honghaier90
[MS] [已完结]关于声子谱计算热膨胀系数的学位论文 (评阅+1) (3/1071) wangqunqun33 2014-01-15 2014-01-16 09:16:54 by wangqunqun33
[MS] [关贴]求助 (评阅+1) (0/202) 风铃儿0608 2014-01-15 2014-01-15 09:41:53 by 风铃儿0608
[MS] [已完结]AlogP和AlogP98的区别 (评阅+1) (5/3055) wungung 2014-01-13 2014-01-14 08:59:27 by wungung
[MS] [已完结]关于自选电子云密度的问题 (评阅+1) (2/679) 白发魔女 2014-01-12 2014-01-14 08:57:03 by 白发魔女
[MS] [已完结]求助模拟改性纳米材料用什么板块儿用什么力场啊?? (评阅+1) (0/220) peerlesszjh 2014-01-13 2014-01-13 17:14:41 by peerlesszjh
[MS] [已完结]高分悬赏关于Material Studio的两个基本问题 (评阅+1) (8/2422) meteorabob 2014-01-09 2014-01-12 15:03:26 by cg陈
[MS] MS5.5分子模拟安装出现问题,紧急求助 (评阅+1) (8/855) 故事是这样的 2014-01-08 2014-01-11 00:14:36 by 茹此无声
[MS] [已完结]求助 急急急 关于dmol表面构建的问题 (评阅+1) (2/308) ch745236751 2014-01-07 2014-01-09 12:51:49 by cg陈
[MS] [已完结]请问各位大神,这个好看的分子轨道图,使用什么软件做的?谢谢! (评阅+1) (4/2359) fenglengxue 2014-01-07 2014-01-08 21:56:34 by fenglengxue
[MS] [已完结]有没有哪位大神做ADF模拟的 (评阅+1) (0/208) gehenniubi 2014-01-08 2014-01-08 10:13:52 by gehenniubi
[MS] [已完结]MS中GULP tool的力场中clayff力场如何设定 (1/1093) dreamfly_ykf 2013-07-26 2014-01-08 06:19:31 by moirakaola
[MS] [已完结]急求Li2S分子的详细结构参数(键长,键角等) (评阅+1) (1/1961) dongshark 2014-01-07 2014-01-07 14:54:59 by 笑笑愁
[MS] [已完结]急急急!!! (评阅+1) (2/274) 尚伊心 2014-01-05 2014-01-06 20:32:17 by 尚伊心
[MS] [已完结][关贴]如何计算共振稳定能? (评阅+1) (0/552) wyg_cumt 2014-01-06 2014-01-06 19:42:14 by wyg_cumt
[MS] [已完结]想计算纳米颗粒在体系内部所占体积大小? (评阅+1) (1/521) wangzhikun 2014-01-05 2014-01-06 17:18:43 by 纤纤物
[MS] [已完结]Ag cluster (n=2.3.4.5) 的结构 (评阅+1) (0/252) 4212feng 2014-01-06 2014-01-06 14:53:02 by 4212feng
[MS] [已完结]聚合物模拟 (评阅+1) (2/566) zhliang555 2014-01-04 2014-01-06 10:45:26 by pigrass
[MS] [已完结]请问,我要在MS中画的分子怎样才能让它稳定呢? (评阅+1) (3/985) 等待蝉唱 2013-12-27 2014-01-04 19:10:50 by 笑笑愁
[MS] [关贴]碳纳米管MD模拟中积分时间步长选取时存在的问题 (评阅+1) (15/2324) newhoperoad 2014-01-03 2014-01-03 22:29:29 by newhoperoad
[MS] [已完结]ms中对称的问题 (评阅+1) (6/2202) zhliang555 2014-01-02 2014-01-03 22:28:29 by hanhan1020
[MS] [已完结]如何用MS软件模拟正辛烷的溶度参数 (评阅+2) (1/334) 873051305 2014-01-03 2014-01-03 17:15:22 by 笑笑愁
[MS] MS分子模拟计算效率 (评阅+1) (7/1561) zs806750658 2013-12-31 2014-01-03 11:13:44 by 笑笑愁
[MS] [已完结]能不能用MS构建水钠锰矿的结构 (评阅+6) (1/303) 幸雪冰 2013-12-28 2014-01-03 10:09:28 by 笑笑愁
[MS] [已完结]请教一个算例! (评阅+1) (1/284) 千秋雪寒 2013-12-27 2014-01-03 10:07:59 by 笑笑愁
[MS] [已完结][关贴]MD求算表面张力 (5/2930) 2682353036 2013-09-23 2014-01-03 09:05:50 by wanglang1987
[MS] [已完结]我的MS打不开CIF文件 (评阅+1) (1/1852) 172304 2013-12-30 2013-12-30 15:36:47 by 172304
[MS] [已完结]诚求:成功安装MS5.5许可证书的高手的帮助 (评阅+1) (1/845) 蓝色枫叶123 2013-12-30 2013-12-30 15:24:22 by WANG7303
[MS] [已完结]为什么用forcite做模拟,用NPT总是出错, (评阅+1) (4/1007) yuandanuc 2013-12-29 2013-12-30 12:12:27 by yuandanuc
[MS] [已完结]Dynamics: The molecular system has 0 movable atoms 怎么回事 (评阅+1) (2/337) yuandanuc 2013-12-28 2013-12-30 00:25:03 by yuandanuc
[MS] [已完结][关贴]如何在material studio forcite做PVT动力学模拟的时候,把一些远在固定住 (评阅+1) (0/1333) yuandanuc 2013-12-29 2013-12-29 16:45:04 by yuandanuc
[MS] [已完结][关贴]求钨钼合金(特别是Mo-30W)物理性能参数:现行膨胀系数、弹性模量、剪切模量…… (0/1020) ytudou 2013-12-29 2013-12-29 14:08:32 by ytudou
[MS] [已完结][关贴]为什么做完动力学模拟后看动画,水分子都是固定在一个位置上振动,而不是四处扩散呢? (评阅+1) (2/820) yuandanuc 2013-12-28 2013-12-28 23:09:09 by yuandanuc
[MS] [已完结]Amber 初学者 (评阅+1) (4/1082) lifeisall 2013-12-17 2013-12-27 20:24:06 by lifeisall
[MS] [已完结][关贴]MS执行分子动力学报错 (评阅+6) (2/811) BlackArcher 2013-12-06 2013-12-27 11:28:43 by xiaoke413
[MS] [已完结]MS里的forcite 模块只能用自带的那三个力场吗?想用trappe力场是不是要用lammps? (评阅+1) (6/2166) gx730 2013-12-23 2013-12-27 10:19:40 by cg陈
[MS] [已完结]dmol3中的动力学和forcite 当中的动力学有什么区别? (评阅+1) (1/2461) linbin1990 2013-12-26 2013-12-27 00:23:41 by Voland
[MS] MS模拟气体在纳米管或狭缝中流动 (评阅+1) (0/197) suihg 2013-12-25 2013-12-25 11:34:35 by suihg
[MS] [已完结]用MS 模拟溶液体系结晶过程 能实现吗 例如discover 或者forcite (8/1288) xiongye1000 2013-12-23 2013-12-25 10:03:10 by xiongye1000
[MS] [已完结]关于FEP自由能微扰的问题 (评阅+1) (1/1305) lifeisall 2013-12-24 2013-12-24 23:53:13 by lsloneil
[MS] [已完结]用MS算得正辛烷的溶度参数和文献差的很多是怎么了 (评阅+6) (3/683) 873051305 2013-12-19 2013-12-24 17:24:02 by 873051305
[MS] [已完结][关贴]我的MS最近总是显示 out of memory (0/312) linbin1990 2013-12-24 2013-12-24 15:57:32 by linbin1990
[MS] [已完结]关于EVB (评阅+1) (1/749) lifeisall 2013-12-24 2013-12-24 10:43:35 by jerkwin
[MS] [已完结]如何在material studio amorphous cell中把晶体结构输入进去? (评阅+1) (2/2664) yuandanuc 2013-12-23 2013-12-23 21:19:56 by yuandanuc
[MS] [已完结][关贴]用MS能模拟细胞的结构吗? (评阅+1) (0/358) nnwang 2013-12-23 2013-12-23 14:40:20 by nnwang
[MS] [已完结]两个分之间形成氢键,用material studio 如何模拟? (评阅+1) (1/1146) ems 2013-12-22 2013-12-23 13:46:26 by cg陈
[MS] [已完结]MS分子建模求助    ( 1 2 ) (评阅+1) (15/2712) xueyiran2007 2013-12-19 2013-12-23 09:55:49 by Tower.Tsu
[MS] [已完结]MS在windows下运行比较快还是在LINUX下运行比较快? (2/469) 白发魔女 2013-12-21 2013-12-21 13:55:01 by lkui486
[MS] [已完结]氢键缔合度怎么求 (1/1103) shaxijiang 2012-10-09 2013-12-21 13:27:27 by 段建霞
[MS] [已完结][关贴]【NaX分子筛建模问题】 (评阅+1) (0/229) lusostty 2013-12-20 2013-12-20 15:51:41 by lusostty
[MS] [已完结]请问MS运行时关闭电脑,是不是还在运行?? (评阅+1) (4/1124) 等待蝉唱 2013-12-20 2013-12-20 11:51:26 by 懒羊羊Q
[MS] [已完结][关贴]绝对吸附和超额吸附中—晶体的自由体积与气体的密度是如何确定的?请各位高手帮忙。 (评阅+2) (8/3414) tanyhrf001 2013-11-21 2013-12-19 21:19:28 by zhj10.26
[MS] [已完结][关贴]计算发射,求甲基氰作溶剂的写法 (评阅+1) (0/215) shangxh 2013-12-19 2013-12-19 12:45:57 by shangxh
[MS] [已完结]想模拟高分子溶液的性质 (评阅+1) (5/799) lukey209 2013-12-18 2013-12-19 07:48:17 by 1102020629
[MS] [已完结]求一些有运用Material studio 软件的一些外文文献。。。 (评阅+1) (5/1568) peerlesszjh 2013-12-17 2013-12-18 17:32:38 by hanhan1020
[MS] [已完结][关贴]MS中水的2D密度图怎么计算出来? (评阅+1) (0/555) 樱恋宛如 2013-12-17 2013-12-17 21:58:05 by 樱恋宛如
[MS] [已完结][关贴]急求国内外分子动力学模拟大牛课题组的网站.......... (评阅+1) (5/4176) hanhan1020 2013-12-02 2013-12-16 19:06:04 by 山羊2b
[MS] [已完结]关于MS的atom selection,使用性质筛选,总是出错    ( 1 2 ) (评阅+1) (13/1473) gx730 2013-12-13 2013-12-15 06:08:48 by sf127710627
[MS] [已完结]ms分子模拟画结构时需要考虑单键双键和三键吗?    ( 1 2 ) (评阅+1) (16/2347) 等待蝉唱 2013-12-13 2013-12-14 00:09:08 by Voland
[MS] [已完结]求教新人从哪方面学计算合适 (评阅+6) (3/553) god_tian 2013-12-13 2013-12-13 14:48:11 by gx730
[MS] [已完结]求助101面的(TiO2)38团簇结构 (5/1084) zhaojy008 2013-02-14 2013-12-13 02:14:34 by gonglijing
[MS] [已完结][关贴]求助文献Liu, J.; Rankin, R. B.; Johnson, J. K. Mol. Simul. 2009, 35, 60 (评阅+6) (4/728) 碧草幽幽 2013-12-04 2013-12-12 18:21:53 by Sean2010
[MS] [已完结]Mg金屬結構分子模擬 (评阅+1) (5/882) sf127710627 2013-12-10 2013-12-12 14:59:02 by sf127710627
[MS] [已完结]如何用MS计算分子晶体的晶格能 (5/5283) vlang 2013-12-10 2013-12-12 11:12:59 by vlang
[MS] [已完结]急救 FAU 沸石(NaY)结构的画法 (5/2008) 657588466 2012-10-22 2013-12-12 05:51:41 by lusostty
[MS] [已完结][关贴]求乙基纤维素分子模拟相关中文及英文文献 (评阅+1) (1/234) 晏子青儿 2013-12-06 2013-12-10 09:14:53 by 晏子青儿
[MS] [已完结][关贴]金属与分子怎样配合 (评阅+1) (0/195) 等待蝉唱 2013-12-09 2013-12-09 15:24:54 by 等待蝉唱
[MS] [已完结][关贴]MS模拟高分子自组装 (评阅+1) (2/454) 纤纤物 2013-12-06 2013-12-09 13:04:59 by 纤纤物
[MS] [已完结]分子模拟中的离子键 (评阅+1) (3/810) wanghuina108 2013-12-05 2013-12-09 00:53:07 by fhh2626
[MS] [已完结][关贴]MS中CreateBeadConnector脚本求助 (评阅+1) (0/362) SunnyRain0.0 2013-12-08 2013-12-08 20:42:52 by SunnyRain0.0
[MS] 阴离子与氢键相互作用模拟 (评阅+1) (3/975) staventchoke 2013-12-07 2013-12-08 01:34:56 by ohcesc
[MS] [已完结][关贴]求牛人指导!!! (评阅+6) (4/631) 雪如飞 2013-12-06 2013-12-07 23:49:28 by polypro
[MS] [已完结][关贴]新人救助,为什么画个环,C原子不显示出来只有键。 (评阅+1) (9/1183) huzi2359 2013-12-05 2013-12-07 17:34:02 by 蓝水卫士
[MS] MS中如何将一个体系按一定速率升温 (评阅+6) (8/1370) BlackArcher 2013-11-29 2013-12-06 12:41:28 by BlackArcher
[MS] [已完结][关贴]关于MS forcite 模块退火失败 (评阅+1) (4/2078) 风吹雪下 2013-12-01 2013-12-06 11:24:20 by BlackArcher
[MS] [已完结][关贴]分子動力合金建模問題 (评阅+1) (1/222) sf127710627 2013-12-04 2013-12-06 01:56:51 by sf127710627
[MS] [已完结][关贴]DPD模拟 (评阅+1) (0/270) 混世小魔女 2013-12-05 2013-12-05 16:25:21 by 混世小魔女
[MS] [已完结][关贴]压力对聚合物材料的影响的模拟,求教压力保持时间的问题    ( 1 2 ) (评阅+1) (10/1563) white雪儿 2013-11-26 2013-12-05 15:09:27 by white雪儿
[MS] [已完结][关贴]怎么在Materials Studio中Sorption模块中做Radial distribution fuctions图    ( 1 2 ) (评阅+1) (10/2402) ligesi 2013-11-21 2013-12-03 20:21:03 by ligesi
[MS] [已完结][关贴]MS6.0中forcite模块中shear计算剪切粘度 (评阅+6) (1/2015) 杰克斯派洛王 2013-12-03 2013-12-03 14:05:08 by hanhan1020
[MS] [已完结][关贴]关于分子模拟学的单位 (评阅+6) (5/1057) BlackArcher 2013-12-02 2013-12-03 12:02:32 by BlackArcher
[MS] [已完结]请问,分子动力学模拟和分子力学模拟的区别是什么呢? (7/2727) 树栽子047 2013-10-09 2013-12-02 20:11:16 by carldxl
[MS] polymer 初始结构 (评阅+1) (20/2670) linyusuc 2013-11-20 2013-12-02 14:50:43 by linyusuc
相关版块跳转
查看