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    [热点] 参与限项 6小太阳6 2026-01-15 刚刚
    【求助】autodock和autogrid时分别出现错误，如何解决？ (5/1747) ykwuya 2009-01-16 2009-02-12 00:31:43 by yitianle
    [Gaussian] 【求助】关于过渡金属的计算 (4/389) yuguotianqing 2009-02-10 2009-02-11 14:11:20 by beefly
    [Gaussian] 【求助】fortran 软件 (2/237) 忘尘天空 2009-02-10 2009-02-11 12:59:03 by 忘尘天空
    [Gaussian] 【分享】关于收敛问题 (评阅+3) (1/270) miaoskypop 2009-02-11 2009-02-11 09:09:53 by loovfnd
    [Gaussian] 【求助】高斯计算过渡态时出现如下问题 (2/190) zylrqq 2009-02-10 2009-02-11 07:51:16 by dolphin618
    [Gaussian] 【求助】如何用高斯算电离势？ (0/133) sym1979 2009-02-10 2009-02-10 20:41:13 by sym1979
    [Gaussian] 【求助】关于fortran的    ( 1 2 ) (13/851) 忘尘天空 2009-02-09 2009-02-10 19:47:55 by snoopyzhao
    [Gamess/ ] 【求助】gamess最新说明书。    ( 1 2 ) (12/952) loovfnd 2009-01-05 2009-02-10 17:07:45 by snoopyzhao
    [Gaussian] 【求助】建立Fe8簇的高斯输入模型 7 (5/333) flyadd 2009-02-05 2009-02-10 10:58:47 by yzcluster
    【分享】利用latex公式交流 (1/166) yahoohoo 2009-02-10 2009-02-10 01:49:08 by yalefield
    专题讨论登记贴 (2/110) yahoohoo 2009-02-09 2009-02-10 00:18:42 by yahoohoo
    [Gaussian] 【求助】学习量子化学需要的数学知识 (评阅+1) (7/705) penghcp 2009-02-07 2009-02-09 16:44:05 by yuhuobuku
    [Gaussian] 【求助】高斯计算路径的输入 (1/145) lib200410 2009-02-09 2009-02-09 15:51:48 by majun04
    [Gaussian] 【求助】Gaussian计算中#2070错误怎么处理 (2/460) weirr06@lzu.cn 2009-02-09 2009-02-09 15:24:13 by mchen10
    [Gaussian] 【求助】分子结构式显示图形软件    ( 1 2 ) (12/505) majun04 2009-02-08 2009-02-09 09:47:50 by snoopyzhao
    [其他] 【求助】关于构象等高图与特征比 (1/160) keyan0043 2009-02-07 2009-02-08 18:56:17 by dolphin100
    [Gaussian] 【求助】gaussian中质子的计算问题 (3/375) vizq 2008-11-28 2009-02-08 14:09:35 by mchen10
    [其他] 【求助】能否用分子模拟方法模拟纳米粒子与生物分子的结合？ 6 (7/492) libaosun 2009-01-10 2009-02-08 13:45:36 by libaosun
    [ChemOff ] 【求助】急需急需，如何注册chem3D 11.0中的Gamess (3/611) flyskysky 2009-02-06 2009-02-08 04:47:14 by beefly
    [Gaussian] 【求助】是发射错了还是轨道错了？ 5 (6/914) lixiaona158 2009-02-01 2009-02-07 20:33:30 by lxmn
    【求助】arguslab (3/544) 蓝星星 2009-01-19 2009-02-07 16:03:51 by xufund
    [Gaussian] 【求助】急需急需，如何在gaussview中查看Ehomo和Elumo (评阅+1) (8/716) flyskysky 2009-01-19 2009-02-07 00:36:58 by xjyuefan
    [其他] 【求助】请问如何用mopac计算电荷布居和生成热！谢谢 3 (5/534) flyskysky 2009-02-05 2009-02-06 22:32:06 by snoopyzhao
    [量化图形 ] 【分享】gaussview 4官方说明书（官方首发） (16/1137) penghcp 2009-02-04 2009-02-06 15:14:59 by lieying18
    [其他] 【求助】两个小分子相互作用 (评阅+1) (4/377) wwjjdd 2009-02-02 2009-02-05 10:44:29 by wwjjdd
    [Gaussian] 【求助】实验室需要怎样的电脑来搞计算 4 (6/725) mz12095599 2009-01-07 2009-02-04 12:09:15 by loovfnd
    [Gaussian] 【求助】如何画轨道能级相关图 2 (1/228) ntrip 2009-02-01 2009-02-02 17:30:46 by herosmzd
    [Gaussian] 【求助】如何在Gaussian中加入电场 (3/3468) freshgirl 2009-02-02 2009-02-02 16:23:46 by freshgirl
    [Gaussian] 【求助】electron density切面图如何显示？ (2/181) ntrip 2009-02-01 2009-02-01 23:43:05 by madonion
    [Gaussian] 【求助】算优化后构型的一个单点出现问题 (4/212) maomao6972 2009-01-30 2009-02-01 13:43:24 by yuhuobuku
    [Gaussian] 【求助】DFT 和　TDDFT有何区别？ (3/1762) tritiger 2009-01-16 2009-01-31 11:28:36 by xjyuefan
    [其他] 【求助】符号书写 (2/90) tttl060 2009-01-23 2009-01-23 19:44:35 by tttl060
    【分享】关于MD的物理背景: EMUCH首发Simulating Hamiltonian Dynamics (14/268) yahoohoo 2009-01-20 2009-01-23 13:08:19 by xwj007
    [Gaussian] 【求助】发光光谱计算问题!急！急！急！ 8 (评阅+1) (3/346) lixiaona158 2009-01-20 2009-01-23 09:49:07 by yyx19840628
    [Gaussian] 密度泛函理论的离散变分法在化学和材料物理学中的应用 (38/1552) liwei1597 2008-07-31 2009-01-22 15:55:15 by lxl8506
    [Gaussian] 【求助】一个怪异的问题 (5/369) carlin 2009-01-15 2009-01-22 11:26:23 by quantumor
    [版务] 【有奖征求意见】改革本版分类 (3/118) csfn 2009-01-09 2009-01-21 18:22:56 by yyx19840628
    [其他] 【求助】20金币求算固液界面张力 (评阅+1) (4/321) kingtin 2009-01-19 2009-01-21 12:47:49 by kingtin
    [Gaussian] Exploring Chemistry with Electronic Structure Methos (评阅+1) (1/257) jjf0616 2008-11-18 2009-01-21 05:30:44 by cup.qzu
    经典耗散粒子动力学（DPD）源程序下载 (11/578) wsgchem 2008-03-14 2009-01-20 22:52:23 by yahoohoo
    [量化图形 ] 【讨论】能量剖面图 (0/160) majun04 2009-01-20 2009-01-20 12:05:42 by majun04
    [Gaussian] 【求助】关于关键字TABS (0/63) dolphin618 2009-01-20 2009-01-20 11:30:20 by dolphin618
    [Gaussian] 【求助】请问Gaussian的服务器版价格多少 (7/766) homeboyzb 2009-01-13 2009-01-20 01:23:54 by madonion
    [其他] 哪里有material studio 4.4 license 下载呢？ (0/350) foxes 2009-01-19 2009-01-19 20:23:49 by foxes
    [其他] 【求助】 Material Studio PDB 文件与Brookhaven PDB文件转换 (2/192) 为材料疯狂 2009-01-10 2009-01-19 13:22:53 by yalefield
    [Gaussian] [求助]如何在visio里画标示建角的弧线？ (1/462) lb1586551 2009-01-18 2009-01-19 11:20:48 by dolphin618
    [Gaussian] 【求助】diabatic 和adiabatic有什么区别？ (6/1229) hbnuwangshuling 2009-01-05 2009-01-18 22:36:35 by tephoon78
    [量化图形 ] 【求助】怎样画如图所以的标示角度的弧线？ (2/108) lb1586551 2009-01-18 2009-01-18 19:25:06 by lb1586551
    [其他] 【讨论】这个三维模拟图是用什么软件画的 (4/330) wj.song 2009-01-17 2009-01-18 14:33:07 by yyx19840628
    [Gaussian] 【求助】谁能告诉我这个K的basis set是哪个人发表的=。=！ 3 (评阅+1) (2/135) xifengjin 2009-01-15 2009-01-18 14:21:37 by yyx19840628
    [Gaussian] 【求助】量化计算求助 (7/694) dendrimer899 2008-11-04 2009-01-18 14:16:09 by yyx19840628
    [Gaussian] 过渡态搜索 opt=qst2，成功了！ (评阅+1) (1/456) ryuusonn 2009-01-06 2009-01-18 11:55:34 by zhangwc5020
    资源转载专用贴 (0/102) yahoohoo 2009-01-18 2009-01-18 01:42:50 by yahoohoo
    [Gaussian] 【求助】如何做NBO分析？    ( 1 2 ) (10/1430) cyclohexane 2008-10-30 2009-01-18 01:32:59 by huanghs50
    [Gaussian] 【求助】有关部分优化(苯环固定)的问题！谢谢 (0/157) 友风 2009-01-17 2009-01-17 09:57:50 by 友风
    [Gaussian] 【求助】linux下安装G03的详细步骤 (3/385) gonghf07 2009-01-16 2009-01-16 18:35:42 by gonghf07
    [Gaussian] 【求助】如何在写文章时讨论计算后的结果？ (4/349) tritiger 2009-01-09 2009-01-16 17:26:45 by tritiger
    [Gaussian] 【求助】有关部分优化的问题！谢谢 (2/129) 友风 2009-01-15 2009-01-16 09:55:02 by 友风
    [Gaussian] 【求助 】如何按照指定的点群优化 (4/279) baobaoxiong 2009-01-09 2009-01-16 09:24:25 by suntao1982
    [Gaussian] 【求助】5篇杯芳烃理论计算的文献 (评阅+3) (1/187) jinguolian 2008-12-07 2009-01-15 16:09:00 by jinguolian
    [Gaussian] 【求助】关于校正因子 (2/162) abin21 2009-01-14 2009-01-15 13:33:13 by coolrainbow
    [Gaussian] 【求助】简单问题BSSE (2/182) liujie5631 2009-01-13 2009-01-15 13:30:43 by coolrainbow
    [版务] 【招聘版主】分子模拟版欢迎您 (0/74) csfn 2009-01-15 2009-01-15 10:06:35 by csfn
    [Gaussian] 【求助】由于计算机的计算能力太差，想借助好的电脑跑这两个计算，重金 37 (7/533) abin21 2009-01-09 2009-01-14 21:09:59 by abin21
    [Gaussian] 【求助】求助个高斯能量较正中的问题 4 (2/151) hyliu0618 2009-01-13 2009-01-14 20:46:21 by quantumor
    [Gaussian] 【求助】如何运行高斯检查点文件【有效期至2009.1.14】 1 (评阅+1) (3/408) jallent 2009-01-14 2009-01-14 19:50:57 by xifengjin
    [其他] 【讨论】同源膜建蛋白的一小部分 (2/130) zhlrui 2008-11-21 2009-01-14 17:06:07 by zhlrui
    [版务] 【专家任命】聘请zzgyb为本区专家顾问 (评阅+10) (9/313) csfn 2009-01-12 2009-01-14 15:37:08 by yyx19840628
    [Gaussian] 【求助】114错误 (1/154) zhaideming 2009-01-13 2009-01-14 09:33:03 by erylingjet
    [其他] 【分享】InsightII 配套教程 (12/930) zuoyinglin 2008-04-22 2009-01-14 06:06:16 by ooops
    [Gaussian] 【求助】寻找过渡态，前两个力条件收敛；位移不收敛的问题！ (5/487) 友风 2009-01-13 2009-01-13 22:02:29 by 友风
    [Gaussian] 【求助】求个gaussview 4.0 下载    ( 1 2 3 ) (26/3000) 狼外婆 2008-06-11 2009-01-13 16:55:07 by 狼外婆
    [Gaussian] 请教高手：如何吧高斯的输出文件用swizard 软件画出光谱图？ (0/217) gonghf07 2009-01-13 2009-01-13 14:55:41 by gonghf07
    [Gaussian] [关贴]【分享】需要molden4.6 for windows (1/284) loovfnd 2009-01-13 2009-01-13 13:08:11 by hbinjm
    [Gaussian] 【求助】质子结合能该怎么算 (2/267) xjyuefan 2009-01-10 2009-01-13 12:12:11 by xjyuefan
    [NBO/AIM] 【求助】NBO5.0G这么使用 (评阅+1) (5/852) lusaka 2008-12-22 2009-01-12 21:13:54 by jyki
    [Gaussian] 【求助】请教SCAN的结果如何分析 3 (评阅+1) (5/372) yjj_h2o 2009-01-10 2009-01-12 17:26:26 by lb1586551
    [Gaussian] 【求助】怎么分析CIS计算后的out文件 (6/924) xiekf1985 2009-01-08 2009-01-12 16:57:02 by xiekf1985
    [Gaussian] 【求助】高斯message#2070出错 (6/991) yolanda8886 2009-01-08 2009-01-12 16:13:05 by yolanda8886
    [Gaussian] 【求助】opt计算 (1/160) 等一个晴天 2009-01-08 2009-01-12 09:51:46 by erylingjet
    [其他] 【求助】在Insight2 中如何缩放大分子呀？ (5/378) fantastic 2008-12-28 2009-01-12 02:14:46 by dolphin100
    [Gaussian] 【求助】Materials Studio 与 Gaussian的比较 (3/1392) wodemin 2009-01-09 2009-01-11 21:00:29 by majun04
    [Gaussian] 【求助】为什么用molcas的人不多？ (1/305) yuhuobuku 2008-09-12 2009-01-11 11:23:07 by 天空空
    [Gaussian] 【求助】E.01 或更高版本的Gaussian03软件 (2/379) huilaoshu999 2009-01-10 2009-01-11 09:57:01 by huilaoshu999
    [其他] 【新年第一贴】祝分子模拟版虫新年快乐,多发文章!有红包    ( 1 2 3 4 ) (36/576) erylingjet 2009-01-01 2009-01-11 09:26:56 by yyx19840628
    [Gaussian] 【求助】Linux下安装Gaussian03    ( 1 2 ) (13/1308) nwwolfchj 2008-12-14 2009-01-10 22:06:17 by nwwolfchj
    [Gaussian] 【求助】优化时，如何控制在一个面上优化？ (评阅+1) (3/227) hbnuwangshuling 2009-01-06 2009-01-10 20:59:56 by bay__gulf
    [Gaussian] 【求助】请问scan的结果如何分析 (0/103) yjj_h2o 2009-01-10 2009-01-10 19:53:26 by yjj_h2o
    [Gaussian] 【求助】TD计算出错 (5/502) YYTDD1124 2009-01-04 2009-01-10 15:19:18 by YYTDD1124
    [Gaussian] 【求助】OPBE和OLYP的输入问题 (2/269) huilaoshu999 2009-01-10 2009-01-10 13:39:51 by yyx19840628
    [Gaussian] 【求助】电子吸附能和电离能 4 (4/576) erylingjet 2009-01-04 2009-01-10 09:09:18 by maomao6972
    [Gaussian] 【求助】Oniom方法中在低层中设置QEQ有什么用? 1 (0/244) vallen 2009-01-09 2009-01-09 20:31:02 by vallen
    [其他] [求助]tinker软件中如何看频率振动 (9/504) suny2005 2008-12-09 2009-01-09 13:54:07 by rrjjp1107
    [其他] 【求助】两个氢原子在0.1毫米距离上的定态相互作用能如何计算？ (评阅+2) (2/122) radishs 2009-01-07 2009-01-09 12:49:12 by radishs
    [Gaussian] ［求助］已解决!大家帮我看看我的输入文件有什么问题吗？ 10 (0/98) handongxue1011 2009-01-09 2009-01-09 09:05:47 by handongxue1011
    [Gaussian] [求助]linux下gaussian03的安装 (2/295) xjz_zjx 2009-01-09 2009-01-09 09:00:25 by wuhanhgf2002
    [Gaussian] 【求助】选择Alpha 和Beta哪套轨道系数？ (评阅+1) (1/186) c_d_123 2009-01-08 2009-01-08 13:48:33 by yuhuobuku
    [Gaussian] 【求助】Gaussian中怎么计算激发态的偶极距 (评阅+1) (7/576) xiekf1985 2009-01-07 2009-01-08 11:50:42 by xiekf1985
    [关贴]求助，设计一个能抗10个大气压的钢制容器 5 (0/79) 天天天蓝2335 2009-01-08 2009-01-08 11:01:16 by 天天天蓝2335
    [量化图形 ] 【求助】解单晶的结果可否直接导入GView？ (评阅+1) (4/397) wangtaosdu 2009-01-07 2009-01-08 10:22:21 by c_d_123
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