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[热点] 溴的反应液脱色 18232227466 2026-01-15 刚刚
[Gaussian] [已完结][关贴]带结晶水金属氯化物的模拟 (0/348) yangyan19890 2014-09-29 2014-09-29 14:51:00 by yangyan19890
[Gaussian] [已完结]请教:86个碱基DNA结构如何优化?(溶剂为水) (4/804) shenyudong 2014-09-28 2014-09-29 12:31:11 by qchem
[个人文集] [已完结]研一迷茫中 (7/1110) 1564044775 2014-09-22 2014-09-29 10:38:12 by 赵文华110
[Gaussian] [已完结]想算ECD请问怎么确定nstates和root呢? (0/270) qchem 2014-09-29 2014-09-29 08:43:57 by qchem
[Gaussian] [已完结]银原子加极化输入文件怎么写 (3/753) renwenjuan 2014-09-28 2014-09-28 21:51:15 by lastzealot
[量化新手 ] [已完结]求 DUSHIN program !! (0/271) 郝玉蕾 2014-09-28 2014-09-28 11:23:32 by 郝玉蕾
[Gaussian] [已完结]求一篇文章 (1/224) elaeaba 2014-09-26 2014-09-26 23:45:45 by 卡开发发
[量化新手 ] [已完结]量子化学三重态能级 (0/446) 邢贞方 2014-09-26 2014-09-26 14:54:01 by 邢贞方
[量化新手 ] [已完结]电子态的波函数表示 (0/317) oyezzy 2014-09-26 2014-09-26 09:33:10 by oyezzy
[Gaussian] [已完结]激发态的色散力矫正 (5/1375) xuefangyu09 2011-06-15 2014-09-26 06:06:14 by 6868DSL
[Gaussian] [已完结]请问关于电荷和自旋多重度的问题    ( 1 2 ) (12/2030) lastzealot 2014-09-20 2014-09-26 01:36:33 by lastzealot
[Gaussian] [已完结]激发态优化 End of file in GetChg l101出错 (0/1020) z6shz6sh 2014-09-25 2014-09-25 22:30:10 by z6shz6sh
[Gaussian] [已完结]求纯Si团簇的相关实验数据 (2/430) cug_zhang 2013-03-01 2014-09-25 19:36:02 by cug_zhang
[量化新手 ] [已完结]有关量子点的问题,新手,望解答~~~ (0/214) cindylan 2014-09-25 2014-09-25 16:54:16 by cindylan
[Gaussian] [已完结]如何在GaussView中创建硫酸链霉素分子。 (2/352) 猫猫守卫者 2014-09-20 2014-09-25 16:46:54 by 猫猫守卫者
[Gaussian] [已完结]请问在哪里可以下到大分子有机物的高斯输入文件。 (2/335) 猫猫守卫者 2014-09-20 2014-09-25 16:46:39 by 猫猫守卫者
[量化新手 ] [已完结]分子力学的主要思想 (1/530) suiminghang 2014-09-25 2014-09-25 13:00:21 by 卡开发发
[Semi-em ] [已完结]询问相关现象的已有名称 (2/741) pariah 2014-09-24 2014-09-25 09:49:31 by pariah
[其他] [已完结]如何处理Multiwfn计算RDG-sign输出的散点图文本数据? (2/704) 吉硕 2014-09-24 2014-09-24 21:41:58 by 吉硕
[Molpro/ ] [已完结]molpro输入的问题 (2/869) rjj09 2014-09-20 2014-09-24 21:33:29 by rjj09
[量化新手 ] [已完结]求助能级轨道有关问题 谢谢! (0/385) xianxianyise 2014-09-24 2014-09-24 20:21:31 by xianxianyise
[Gaussian] [已完结]oniom 带电荷体系 (1/512) ivylxjlove 2014-09-23 2014-09-24 12:47:47 by hairan
[Gaussian] [已完结]gaussianview如何改变原子的颜色 (1/982) 赵文华110 2014-09-24 2014-09-24 12:27:12 by hairan
[Gaussian] [已完结]Restarting incremental Fock formation. l502 (8/4410) mengsk 2014-09-22 2014-09-24 08:53:11 by 卡开发发
[Gaussian] [已完结]执行g09里少库怎么办?    ( 1 2 ) (15/1050) qchem 2014-09-18 2014-09-24 06:28:00 by qchem
[量化新手 ] [已完结][关贴]HSE计算能带,怎么会绘制出能带图。 (0/618) 隐刃之衅 2014-09-23 2014-09-23 20:17:03 by 隐刃之衅
[量化新手 ] [已完结]量化 (2/462) 考研的可怜娃 2014-09-20 2014-09-23 19:42:44 by 考研的可怜娃
[NBO/AIM] [已完结]AIM计算氢键的具体步骤, (5/1952) B612 2013-09-27 2014-09-23 16:29:09 by 建建爱乖乖
[NBO/AIM] [已完结]求助什么是 “Rydberg charge” (0/632) sddtc888 2014-09-23 2014-09-23 12:43:08 by sddtc888
[其他] [已完结]|(A-B)C><(A-B)C|可以写成 |AC-BC><AC-BC|吗? (0/232) ztyztya 2014-09-23 2014-09-23 12:19:29 by ztyztya
[Gaussian] [已完结]开壳层闭壳层 (1/553) 邵将洋 2014-09-22 2014-09-23 08:30:23 by gauss98
[其他] [已完结]请问这都是表示的什么东西呢? (0/306) 白玉浴血 2014-09-22 2014-09-22 19:20:09 by 白玉浴血
[其他] [已完结]量子点的光致发光光谱用啥仪器测量啊? (0/823) 千语千寻之恋 2014-09-22 2014-09-22 15:48:31 by 千语千寻之恋
[ChemOff ] [已完结]Chmedraw ultra 8.0中输入字母时,红色的外框怎么去掉? (1/1316) xuemeng111 2014-08-27 2014-09-22 08:55:23 by 建建爱乖乖
[Gaussian] [已完结]有关C2H5S+OH气相亲核反应机理与主通道速率常数的理论研究的文章 (2/294) 江湖神 2014-04-29 2014-09-22 06:13:33 by mao929
[Gaussian] [已完结]高斯荧光计算的几个问题 (6/3119) 461018249 2011-07-07 2014-09-21 13:38:25 by 小范范1989
[Gaussian] [已完结]关于外部基组的问题 (4/704) lastzealot 2014-09-21 2014-09-21 11:33:04 by sobereva
[量化新手 ] [已完结]如何从态密度图中看出峰是占据的还是部分占据的? (3/1778) 隐刃之衅 2014-09-20 2014-09-21 09:18:20 by 卡开发发
[Gaussian] [已完结]TS方法报错(L1.exe),多次尝试仍然是这样 (2/1300) rainyxiao 2013-11-28 2014-09-21 07:24:23 by 戴世杰
[Gaussian] [已完结]如何用gaussview画3970个重复单元的直链淀粉分子? (4/924) 三木713 2013-07-14 2014-09-20 16:50:42 by 罪恶书生
[Gaussian] [已完结]求助:帮忙找一下离子液体[BMIM]BF4的介电常数是多少,最好给个文献出处 (0/802) shwangjunbo 2014-09-20 2014-09-20 07:42:26 by shwangjunbo
[量化新手 ] [已完结]菜鸟求助帖怎么计算晶体中的梯度电场张量 (3/622) huarjun 2014-09-18 2014-09-19 13:43:21 by huarjun
[Gaussian] [已完结]过渡态优化报错 (5/1638) ecowkx 2014-09-17 2014-09-19 07:55:45 by 枪下游魂
[Gaussian] [已完结]高斯荧光计算中的错误“QPErr --- A syntax error was detected in the input line.”    ( 1 2 ) (11/6253) lxss 2014-09-15 2014-09-19 07:53:26 by 枪下游魂
[Multiwfn] [已完结]从这个静电势图能看出什么? (4/2335) 戴世杰 2014-06-28 2014-09-18 17:46:53 by liudan_1111
[Gaussian] [已完结]如何校正低频率 (0/301) 2013_2014 2014-09-18 2014-09-18 16:35:47 by 2013_2014
[Gaussian] [已完结]-bash: dso2uxni: command not found 小红帽6.0安装 (8/1010) liujodan 2014-09-17 2014-09-18 15:43:35 by liujodan
[Gaussian] [已完结]输入文件求助 (1/377) lxying 2014-09-17 2014-09-18 08:38:45 by 枪下游魂
[Gaussian] [已完结]激发态 (6/644) xjf0319 2014-09-07 2014-09-18 08:18:41 by xjf0319
[Gaussian] [已完结]G09安装问题求助 (6/710) liujodan 2014-09-17 2014-09-17 22:37:47 by liujodan
[Molpro/ ] [已完结]molpro输出的问题 (3/862) rjj09 2014-09-12 2014-09-17 13:54:10 by luqing6879
[Gaussian] [已完结]高斯 (2/378) 七瓣雪花 2014-09-13 2014-09-17 10:31:37 by 七瓣雪花
[Linux应 ] [已完结]如何用vasp算NMR (5/1755) 沉默言慧 2013-05-24 2014-09-17 06:19:03 by 沉默言慧
[Gaussian] [已完结]新虫求助,奉上仅有的20金币 (1/273) zyuanp 2014-09-16 2014-09-16 12:29:16 by 戴世杰
[量化图形 ] [已完结][关贴]如何在GS view中设定某一固定半径范围内的原子为中层体系? (0/252) hxqiuling 2014-09-16 2014-09-16 11:46:09 by hxqiuling
[Gaussian] [已完结]NBO分析里的一个警告 (0/388) 1334590579 2014-09-16 2014-09-16 10:56:59 by 1334590579
[NBO/AIM] [已完结]请教高人使用赝势基组对AIM的结果有何影响! (3/568) zm_tbw 2014-09-16 2014-09-16 10:29:27 by 卡开发发
[Gaussian] [已完结]查遍了高斯说明书,百度,小木虫论坛也没找到 (8/892) nbwhjf000 2014-09-15 2014-09-16 09:51:51 by sobereva
[Gaussian] [已完结]求大神指教 Error termination via Lnk1e in /home/ren/g09/l301.exe (2/2237) 爱你瑞 2014-09-15 2014-09-16 09:43:24 by 枪下游魂
[Molpro/ ] [已完结][关贴]请问关于molpro计算非绝热耦合 (1/1812) chenxiankai 2014-09-15 2014-09-16 07:40:08 by luqing6879
[Gaussian] [已完结]求助Ir complex 用SDD基组如何输入? 在文献中如何描述? (1/700) 幸福男人 2014-09-15 2014-09-15 21:12:51 by 幸福男人
[Gaussian] [已完结]优化结构不往下进行    ( 1 2 ) (14/1324) 小瑞兔 2014-09-12 2014-09-15 17:22:53 by haoren520
[Gaussian] [已完结]两个分子间的弱作用力 (3/1272) titan8993 2014-09-15 2014-09-15 16:00:11 by zhou2009
[Gaussian] [已完结]双分子催化过程中单双分子驻点的能量差如何计算? (1/212) qufushifan 2014-09-15 2014-09-15 15:33:26 by qufushifan
[Gaussian] [已完结]Gaussian09运行异常快,正常吗 (6/1827) 516518 2014-09-14 2014-09-15 14:38:12 by 516518
[Gaussian] [已完结]【求助】关于半经验ZINDO方法的输入命令 (4/1856) dlstella 2013-07-21 2014-09-15 13:58:50 by zszjn
[Gaussian] [已完结]求助离解能计算时的频率校正和熵校正 (1/712) konglingbing 2014-07-30 2014-09-15 10:56:20 by 戴世杰
[Gaussian] [已完结]紧急求助有关Gaussian的问题!!!!!!!!! (6/753) shuangliwang 2014-09-11 2014-09-14 17:14:56 by 小范范1989
[其他] [已完结]multiwfn怎么画分子轨道图 (4/2070) wuhaixia00 2014-08-08 2014-09-14 17:13:07 by 小范范1989
[Gaussian] [已完结]有好心人帮我算算分子的HOMO,跟LUMO么???我有输入文件 (4/894) hu7971136 2014-09-12 2014-09-14 09:30:19 by t13340033021
[NBO/AIM] [已完结]AIM计算氢键的八个指标求助 (3/1188) kuailede 2012-06-06 2014-09-13 20:09:13 by sobereva
[其他] [已完结]二甲基亚砜 极化自由能 (0/270) du19880425 2014-09-13 2014-09-13 14:33:37 by du19880425
[Gaussian] [已完结]Gaussian中内层分子的能级对上 (1/358) yaoyao-4921 2014-09-11 2014-09-13 08:30:53 by gauss98
[Gaussian] [已完结]高斯算出的NMR是不是针对一个构象的? (1/387) crosschannel 2014-09-13 2014-09-13 08:16:07 by gauss98
[Gaussian] [已完结]请问该如何放置水分子的位置    ( 1 2 ) (11/3144) Captain-Jack 2011-07-13 2014-09-13 07:04:36 by yongleli
[量化新手 ] [已完结]有关量子力学的计算(狄拉克符号) (1/752) adhisj 2014-09-12 2014-09-12 21:39:42 by adhisj
[Gaussian] [已完结]求助gaussian 校正因子的问题 (2/1172) WJ581692 2014-09-12 2014-09-12 21:35:03 by WJ581692
[Molpro/ ] [已完结]包含65个原子的分子能不能算动用casscf (5/846) chenxiankai 2014-09-12 2014-09-12 20:31:48 by tcclab
[Gaussian] [已完结]求助一个高斯计算问题 (7/1098) WJ581692 2014-09-09 2014-09-12 19:09:16 by WJ581692
[Gaussian] [已完结]一个四原子自由基COONa怎么也优化不出来了!!!!!    ( 1 2 ) (17/1241) yangmou 2014-09-09 2014-09-12 18:48:07 by yangmou
[Gaussian] [已完结]nonequilibrium version of the C-PCM (3/415) tandz 2014-09-09 2014-09-12 11:04:29 by lihb734
[Gaussian] [已完结]稀土元素用什么算法好? (1/351) 1334590579 2014-09-11 2014-09-12 11:02:23 by kjsun
[Gaussian] [已完结]关于电荷和自旋多重度的问题 (7/5275) ldzh0531 2012-03-17 2014-09-12 07:21:59 by 杨韫13
[Gaussian] [已完结]高斯计算的问题    ( 1 2 ) (11/1423) 331268942 2014-09-05 2014-09-11 14:34:05 by 枪下游魂
[Gaussian] [已完结]含双键二面角,柔性扫描势能曲线,计算到一半就出错(gaussian) (8/2890) 豆豆sk8 2014-04-02 2014-09-11 13:42:24 by ficlerlin
[其他] [已完结]激发态的Hessian矩阵指什么 (1/590) 幸运兔 2014-09-11 2014-09-11 12:18:39 by 枪下游魂
[Gaussian] [已完结]请教高人,如何用gaussian计算一下水溶液中鞣质分子与壳聚糖分子之间的相互作用力?? (0/295) anqingpingle 2014-09-11 2014-09-11 11:24:21 by anqingpingle
[Gaussian] [已完结]求助主客体包结过程:A+B--->AB的结合能,加入bsse校正计算 (3/648) 蠢蠢欲动 2014-09-09 2014-09-11 00:41:12 by lg28747
[Gaussian] [已完结]gaussianview 构建 氨基酸多肽 的大神请进! (0/670) whozing 2014-09-10 2014-09-10 15:48:50 by whozing
[Gaussian] [已完结]计算后有一个问题请教 (5/749) 大哏林 2014-09-04 2014-09-10 08:47:07 by jiewei
[Gaussian] [已完结]cp2k (3/1299) 李晓绒 2013-10-25 2014-09-10 07:52:05 by 杨韫13
[Gaussian] [已完结]请问gaussian可以计算NMR是C的,有办法计算N-NMR吗? (4/1049) xiaoma541 2014-09-07 2014-09-09 15:00:50 by 飞行鸟
[Gaussian] [已完结]用高斯模拟的NMR,谱图是不是只有那种条形的?没有试验一样的波峰图么? (6/1551) 呆呆天下 2013-04-16 2014-09-09 13:16:54 by 阡陌蔓
[Gaussian] [已完结]求助:chk转化fchk时出现错误 (1/284) gao4595052 2014-09-09 2014-09-09 11:01:40 by 建建爱乖乖
[Gamess/ ] [已完结]如何将GAMESS计算的分子特定轨道波函数导出? (0/648) luosizuo 2014-09-09 2014-09-09 09:30:58 by luosizuo
[Gaussian] [已完结]分子解离scan (3/515) yangmou 2014-09-01 2014-09-09 03:06:43 by yongleli
[Gaussian] [已完结]反应势能面中势垒为正,计算反应速率拟合出来的活化能为负,急求解释! (3/1273) Tracyxi 2014-09-04 2014-09-09 00:48:22 by yongleli
[Gaussian] [已完结]如何用Gaussview画工具栏环模板里没有的环 (1/2292) 胡人7081 2014-09-06 2014-09-08 09:55:46 by lg28747
[Gaussian] [已完结]RRKM软件求助 (1/1142) 学员pV7Kye 2013-11-29 2014-09-08 08:24:09 by arsc
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