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[热点] 疑惑？ 好孩子好乖 2026-01-17 刚刚
[Gaussian] [已完结]TDDFT新手 刚开始用 求怎么看 pi到pi*的激发能啊 紧急求助 (3/1026) plafalines 2012-09-30 2013-03-12 13:16:52 by jiewei
[Gaussian] [已完结]铜离子无机反应的计算问题 (2/351) ldzh0531 2013-03-11 2013-03-12 11:52:27 by ldzh0531
[Gaussian] [已完结]gaussian能算分子的能量参数么？ (0/274) wofjg2008 2013-03-12 2013-03-12 10:52:07 by wofjg2008
[Gaussian] [已完结]关于取代基的疏水参数和摩尔折射率 (2/522) haifengshi 2013-03-11 2013-03-12 09:42:34 by haifengshi
[Gaussian] [已完结]用guassian求出来的过渡态和初始猜测不一样，怎么办？ (3/750) silverlhy 2013-03-08 2013-03-12 07:58:40 by lishijunzong
[Gaussian] [已完结]Mulliken重叠集居数 (7/1973) wyhzj1987 2011-12-22 2013-03-12 07:08:40 by chemical-wm
[Gaussian] [已完结][关贴]S2O6 2- 离子中，两个S 原子成键方向上的轨道？？？ (1/1178) james.bond 2013-03-11 2013-03-12 01:43:58 by james.bond
[Gaussian] [已完结]gauss初学，遇到#2070错误，请教 (9/2524) 依然怜悯 2013-03-09 2013-03-11 20:31:38 by 依然怜悯
[Gaussian] [已完结]homo-lumo 求高手指点 (1/374) 幽田双净 2013-03-11 2013-03-11 17:20:03 by zxy964777869
[Gaussian] [已完结]计算的两个顺反异构，能量相差37kJ/mol左右，能说明哪个更稳定吗 (6/2108) quxc658 2012-08-31 2013-03-11 17:19:19 by damihu2011
[Gamess/ ] [已完结]Qchem求助 (0/764) oyezzy 2013-03-11 2013-03-11 15:57:31 by oyezzy
[其他] [已完结]哪位知道亮甲酚蓝（BCB）的HOMO和LUMO值，或者如何计算 (0/175) 魚骨 2013-03-11 2013-03-11 15:36:37 by 魚骨
[NBO/AIM] [已完结]审稿人要求进行的NBO分析 (9/1353) gyli 2013-03-08 2013-03-11 10:46:45 by hybren
[Gaussian] [已完结]MOF与Gaussian计算的一点点想法 (0/1131) Voland 2013-03-11 2013-03-11 10:14:19 by Voland
[Gaussian] [已完结]求助一本书 (0/212) huosuhong 2013-03-11 2013-03-11 09:31:09 by huosuhong
[Gaussian] [已完结]关于homo和lumo轨道的分析 (0/4925) 小热胖胖 2013-03-11 2013-03-11 08:53:13 by 小热胖胖
[Gaussian] [已完结]高斯软件 (0/2556) zjx187 2013-03-11 2013-03-11 08:32:00 by zjx187
[其他] [已完结]pasw软件 做线形分析 (0/229) 710925627 2013-03-10 2013-03-10 21:27:18 by 710925627
[量化新手 ] [已完结][关贴]SP杂环中P轨道对亲核加成的影响？ (1/380) houhl 2013-03-08 2013-03-10 20:58:23 by lishijunzong
[Gaussian] [已完结]gaussian09怎样指定溶剂，并计算溶剂化能 (1/2395) cathychenyi 2013-03-08 2013-03-10 20:02:22 by lishijunzong
[Gamess/ ] [已完结]NOT ENOUGH MEMORY FOR INTEGRAL GROUP BUFFER. (0/426) 素年锦时111 2013-03-08 2013-03-10 16:46:25 by 素年锦时111
[量化新手 ] [已完结]这是什么意思啊 (0/377) kobe6777 2013-03-09 2013-03-10 16:44:52 by kobe6777
[Gaussian] [已完结]怎么用G4等组合方法计算单点能？ (0/1123) O3传说 2013-03-10 2013-03-10 16:43:34 by O3传说
[Gaussian] [已完结]DSSC染料敏化太阳能电池 吸收光红移 (7/1653) 醒目苹果倪1707 2012-11-28 2013-03-10 12:15:14 by 醒目苹果倪1707
[量化图形 ] [已完结]MS计算能带后怎样数据导出 (3/2189) jiyananjida 2013-03-07 2013-03-09 10:22:30 by xxjiang
[ADF/Dal ] [已完结]ADF计算磷光的输入文件, (1/718) haiqin28 2013-01-29 2013-03-09 09:48:42 by 叉叉AND木木
[Gaussian] [已完结]利用gaussian如何求零场分裂参数，和三线态振子强度？ (1/939) 会飞的种子 2011-11-26 2013-03-09 06:58:01 by 叉叉AND木木
[Gaussian] [已完结]很大的分子，优化了以后可以不做频率计算吗？ (4/638) vicxw316 2013-03-07 2013-03-08 17:01:28 by chiweijie
[其他] [已完结]利用有限元方法求解Maxwell方程组、流体力学方程以及热传导方程的软件    ( 1 2 ) (10/2297) 莎木头das 2012-12-30 2013-03-08 13:54:37 by redmast
[其他] [已完结]怎么求residence time？ (0/1470) 阿吉你行 2013-03-08 2013-03-08 11:17:03 by 阿吉你行
[ADF/Dal ] [已完结]请问有谁做过 Charge diaplacement analysis 之后的CD曲线 (0/505) yanglina062 2013-03-08 2013-03-08 11:15:04 by yanglina062
[Gaussian] [已完结]指点迷津 (0/191) liuyy2009 2013-03-08 2013-03-08 07:51:38 by liuyy2009
[其他] [已完结]根据电子组态求光谱项是不是一定要列出全部电子排布？ (1/1458) Alexander056 2013-03-07 2013-03-07 22:55:17 by chembetsey
[量化图形 ] [已完结]MS计算有机半导体的能带 (6/1262) jiyananjida 2013-03-04 2013-03-07 19:54:07 by xxjiang
[文章故事] [已完结]投稿求助 (4/662) liuliuji 2013-03-04 2013-03-07 17:51:23 by 飞行鸟
[Gaussian] [已完结]高斯软件安装应用程序错误 (9/973) 芦苇波2012 2013-02-28 2013-03-07 14:12:07 by 芦苇波2012
[其他] [已完结]表面电化学计算 (4/510) jmsdxyf 2013-03-01 2013-03-07 10:33:48 by jmsdxyf
[其他] [已完结]考博-高等量子力学 中物院或者中科院 近两年真题 (1/1250) 497544498 2013-03-04 2013-03-07 09:02:16 by xiaoaq
[Gaussian] [已完结]初学者求助—激发态优化－“如何将优化好的基态几何结构做稍微的扰动”？ (4/941) xhz1967 2012-04-08 2013-03-07 08:43:04 by 喻儿在线
[其他] [已完结]求助Journal of Computational Chemistry或Chem. Eur. J.的ENDNOTE outstyle (0/294) 孙1986 2013-03-06 2013-03-06 21:59:11 by 孙1986
[Gaussian] [已完结]关于ultraedit在高斯上的应用？ (7/755) madelineli 2013-03-04 2013-03-06 18:29:03 by madelineli
[Gaussian] [已完结]Mulliken重叠布居数计算 (2/2897) zhongshidaxt 2013-03-06 2013-03-06 14:32:14 by zhongshidaxt
[Gaussian] [已完结]使用M06-2X进行计算时候有没有什么需要注意的呢    ( 1 2 ) (14/2904) wangsihang 2013-02-26 2013-03-06 11:08:11 by ZJboy
[Gaussian] [已完结]高手们看看！检查路径执行的错误，到底哪里错了？ (3/357) madelineli 2013-03-05 2013-03-06 10:57:40 by madelineli
[量化新手 ] [已完结]怎么看分子的对称数有多少个 (1/2721) 果果徐 2013-03-05 2013-03-06 04:12:43 by yongleli
[Gaussian] [已完结]急！哪位可以给出cc-pVTZ基组的简单定义？在线等！ (2/802) 鱼落凡间6016 2013-03-05 2013-03-05 16:34:56 by 鱼落凡间6016
[其他] [已完结]寻找苯，磷负一价五元环，铝负二价四元环各键长的实验值相关文献 (0/271) fujinglin 2013-03-05 2013-03-05 16:10:50 by fujinglin
[其他] [已完结][关贴]GaussSum打不开.out 文件，怎么回事 (1/428) 孟娜娜 2013-03-04 2013-03-05 12:38:20 by 孟娜娜
[量化新手 ] [已完结]关于如何判定早其能垒与晚期能垒的问题（early barrier,later barrier） (2/543) hp713747 2013-03-04 2013-03-05 03:50:41 by yongleli
[Gaussian] [已完结]利用WB97XD来计算分子筛 (0/654) wangsihang 2013-03-04 2013-03-04 17:13:06 by wangsihang
[Gaussian] [已完结]利用DFT-D进行Gaussian优化，输入文件应该怎么设置呢 (4/1223) wangsihang 2013-03-03 2013-03-04 17:05:38 by wangsihang
[Gaussian] [已完结]分子尺寸计算 (3/808) hustyh0801 2013-03-04 2013-03-04 10:29:28 by zhou2009
[Gaussian] [已完结]dissociation energy (0/244) shenhaige 2013-03-03 2013-03-03 15:01:12 by shenhaige
[Gaussian] [已完结]guassian可以计算什么 (3/801) celine蔡 2013-03-02 2013-03-03 09:46:57 by stalart
[Gaussian] [已完结]如何分开设定基组 (4/586) wangsihang 2013-03-01 2013-03-02 16:04:35 by wangsihang
[Gaussian] [已完结]卡宾成键表征 (3/571) huilovezhe 2013-03-01 2013-03-02 00:58:41 by yongleli
[Gaussian] [已完结]如果在DFT泛函中加入色散作用 (7/1419) wangsihang 2013-02-28 2013-03-02 00:55:56 by yongleli
[其他] [已完结]分子动力学 求助 (3/576) 猪也能飞 2013-02-28 2013-03-01 13:29:30 by 猪也能飞
[Gaussian] [已完结]关于98和09振荡强度问题 (1/263) huilaoshu999 2013-01-08 2013-03-01 13:15:54 by yongleli
[其他] [已完结]求四川大学在计算模拟研究方向的详细介绍 (8/1123) jiephoebe 2013-02-27 2013-03-01 12:53:18 by yongleli
[Gaussian] [已完结]Gaussian优化NH4Cl出错 (1/452) 张全华 2013-02-28 2013-03-01 11:17:39 by zhou2009
[其他] [已完结]基组 (0/237) cj陈娇 2013-03-01 2013-03-01 11:14:22 by cj陈娇
[Gaussian] [已完结]如图，优化出错 (1/297) 张全华 2013-02-28 2013-03-01 09:02:10 by lishijunzong
[其他] [已完结]相对能 (2/378) ljxzhq88 2013-01-09 2013-02-28 23:57:38 by agent99
[Gaussian] [已完结]光谱出现这种情况应该怎么解释呢？ (0/327) luckyzly 2013-01-17 2013-02-28 22:20:06 by luckyzly
[Gaussian] [已完结]转动常数和NICS的计算 (0/1141) liuzhiguo5708 2013-02-05 2013-02-28 22:17:00 by liuzhiguo5708
[Gaussian] [已完结]percent contribution (0/310) 邵将洋 2013-01-25 2013-02-28 22:16:44 by 邵将洋
[量化新手 ] [已完结]简并态势能面与对称性 (0/324) luqing6879 2013-02-21 2013-02-28 22:15:53 by luqing6879
[Gaussian] [已完结]紧急求助 (0/240) wei_99 2013-02-28 2013-02-28 13:05:43 by wei_99
[Gaussian] [已完结]model potential molecular dynamics(MPMD)怎么翻译？ (0/193) woaiyangyang 2013-02-28 2013-02-28 10:52:57 by woaiyangyang
[量化新手 ] [已完结]离子液体结构模拟 (4/1034) ymyznd 2013-02-27 2013-02-28 09:22:23 by ZZU2011
[Gaussian] [已完结]在water中，优化TS总是optimization stopped (6/1425) jiangdafa 2013-02-24 2013-02-28 09:18:33 by ZZU2011
[Gaussian] [已完结]revTPSS (0/708) qingjing99 2013-02-28 2013-02-28 06:48:40 by qingjing99
[Gaussian] [已完结]专家的审稿意见... (1/474) zhoulm338 2013-02-27 2013-02-28 04:07:18 by agent99
[Gaussian] [已完结]Gaussian单机最多能用多少个线程？ (1/969) shengxiang 2013-02-27 2013-02-27 19:47:55 by hairan
[Gaussian] [已完结]M06-2x和DFT-D相比较哪个更好些呢？ (0/798) wangsihang 2013-02-27 2013-02-27 16:57:59 by wangsihang
[Gaussian] [已完结]紧急求助！ (0/199) Captain-Jack 2013-02-27 2013-02-27 13:36:46 by Captain-Jack
[其他] [已完结]yjcmwgk 视频无法观看了 (1/462) daniell251 2013-02-27 2013-02-27 11:32:18 by gmy1990
[量化新手 ] [已完结]guassview画出杂环 (5/1100) xing19881122 2012-11-08 2013-02-27 05:24:25 by lishijunzong
[Gaussian] [已完结]求助 请问如何用高斯计算动力学直径 (0/435) lyc2007 2013-02-26 2013-02-26 22:07:04 by lyc2007
[Gaussian] [已完结]多重态的HOMO LUMO 能极差的计算，该取哪个值 (5/1253) minmin_0082003 2013-02-25 2013-02-26 15:05:35 by 610354236
[Gaussian] [已完结]请教大家这种构型是怎么建出来的 (7/683) 0502114073 2013-02-24 2013-02-26 14:43:02 by duzhong
[其他] [已完结]n个氢原子中的n个电子的自旋一样不, (3/648) xuemeng111 2013-02-21 2013-02-26 08:27:03 by yanrding
[其他] [已完结]氢原子的某一条谱线的精细结构为什么是两条？ (5/858) xuemeng111 2013-02-21 2013-02-26 01:01:22 by xuemeng111
[Gaussian] [已完结]求助如何做一个cover？ (0/342) Miracle922 2013-02-25 2013-02-25 17:41:13 by Miracle922
[其他] [已完结]氢键问题请教    ( 1 2 ) (17/984) jiji851 2013-02-12 2013-02-25 15:50:54 by jiji851
[其他] [已完结]有没有哪位最近计算机资源空闲 帮忙算写东西 重谢 (0/214) beipiao616 2013-02-25 2013-02-25 12:17:52 by beipiao616
[Multiwfn] [已完结]Multiwfn电子密度等值线图中的数值如何读取 (1/873) xiaoqiu007 2013-02-24 2013-02-25 09:06:31 by sobereva
[Gaussian] [已完结]有哪位linux服务器装有高斯03 请帮我把几个chk文件转换成fchk格式 (2/722) lixiaocat 2013-02-23 2013-02-24 15:04:45 by jiameiye
[量化图形 ] [已完结]求MACCS指纹图谱的详细介绍 (0/2580) woyaopaocheo 2013-02-24 2013-02-24 14:27:18 by woyaopaocheo
[量化新手 ] [已完结]求银帅的《超级微观物理学基本原理》或《超级微观宇宙万物与宏观调控人类本身》 (0/572) zhaolei1220 2013-02-24 2013-02-24 13:53:07 by zhaolei1220
[其他] [已完结]MD文献中写的溶液的溶度为多少M，M的单位是什么？ (4/971) 阿吉你行 2013-02-22 2013-02-24 12:58:06 by geode
[Gaussian] [已完结]谁能用gaussian帮我算下1,8-桉叶油素的优化结构，不胜感激！ (0/247) 心仪天下 2013-02-24 2013-02-24 09:41:48 by 心仪天下
[Gaussian] [已完结]问一个简单的问计算问题。 (5/704) zongyiyang 2013-02-23 2013-02-23 22:06:11 by zhangmt
[Gaussian] [已完结]什么作用关系导致体系能量减低，作用力变强，请高手们都踩踩，提提可能性 (9/812) 026li 2013-02-18 2013-02-23 16:23:32 by 026li
[Gaussian] [已完结]找过渡态遇到麻烦，求助了 (5/1026) aimonkey 2012-05-27 2013-02-23 06:55:10 by lishijunzong
[Gaussian] [已完结]关于频率计算 (2/379) celine蔡 2013-02-20 2013-02-22 08:29:00 by yanrding
[HyperCh ] [已完结]寻求量化计算的高手长期合作 (4/1137) schl3382 2013-02-21 2013-02-22 06:05:20 by chshengyao
[HyperCh ] [已完结]虚频 过渡态 Hyperchem (1/889) 710925627 2013-02-20 2013-02-21 12:02:49 by lishijunzong
[Gaussian] [已完结]求助，研究离子液体的朋友们，有无知道什么是“体相离子液体”？？谢谢 (0/313) wuyoung 2013-01-21 2013-02-21 09:51:58 by wuyoung
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