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    [热点] 基金申报 zhailichao 2026-01-15 刚刚
    [Gaussian] [求助]CPCM 模型如何使用啊？ (2/506) abin21 2008-05-26 2008-05-26 22:41:26 by wxjbuilder
    [Gaussian] [求助] 溶剂模型 (1/245) liutao_jlu822 2008-05-26 2008-05-26 22:27:22 by wxjbuilder
    【求助】：在linux下安装antodock4.0    ( 1 2 ) (11/778) no12king 2008-05-06 2008-05-26 18:19:41 by no12king
    [Gaussian] 【求助】关于CASSCF方法中活性空间的选择 (0/1094) ppshanshanqiu 2008-05-26 2008-05-26 16:56:29 by ppshanshanqiu
    [Gaussian] 【求助】ONIOM分层中的电荷书写 (0/166) gylai_ustc633 2008-05-26 2008-05-26 16:09:26 by gylai_ustc633
    [求助]有人知道通过RDF来计算coordinate number的吗？ 4 (6/594) tpp001 2008-05-15 2008-05-26 14:47:47 by abc6394490
    [Gaussian] 【求助】分层计算遇到问题 (9/619) ghzhong 2008-05-23 2008-05-26 13:59:37 by gaochao85
    [Gaussian] 【求助】提交gaussian计算任务－提示内存不能为读写 (5/390) canbill 2008-05-22 2008-05-26 13:52:58 by gaochao85
    求助 (评阅-2) (0/91) vdmzsfj 2008-05-26 2008-05-26 10:25:35 by vdmzsfj
    【求助】分子模拟中的分胞的概念？ 6 (1/143) gamma337 2008-05-25 2008-05-26 02:13:59 by zyy816
    [Gaussian] 高斯03安装目录中exercise文件夹e3_01.gjf输入和计算结果分析 (15/2448) longer163 2008-05-12 2008-05-25 23:34:08 by dengwei_19
    [Gaussian] [求助]团簇计算后得到的DOS是分离值 (7/394) chenzi2010 2008-05-23 2008-05-25 15:45:36 by chenzi2010
    [求助］amber的坐标结构 (1/90) cloudsea163 2008-05-23 2008-05-25 08:41:07 by xzszhgd
    [Gaussian] 高斯中的频率 (3/577) zhaideming 2008-05-23 2008-05-24 14:57:28 by jjf_sxnu
    [Gaussian] [求助]：gaussian03计算出错原因 (5/465) wangxl867 2008-05-23 2008-05-24 11:13:27 by hairan
    [Gaussian] 高斯基态的问题 (1/163) zhaideming 2008-05-23 2008-05-24 05:32:44 by jjf_sxnu
    [Gaussian] 高斯中的问题 (0/77) zhaideming 2008-05-23 2008-05-23 23:43:44 by zhaideming
    [Gaussian] [求助]gaussian优化结构时的错误 (7/586) 36du 2008-05-22 2008-05-23 22:56:22 by wxjbuilder
    [Gaussian] [求助]关于TD方法算出来的振动强度 (1/112) tsihu 2008-05-23 2008-05-23 16:44:28 by wxjbuilder
    [Gaussian] 中文的gaussian补充教材哦！很精彩 (35/4477) 小猫钓鱼 2007-06-14 2008-05-23 15:41:58 by tengqf
    [Gaussian] 【求助】高斯无机溶剂的定义 2 (1/198) wanshidaji 2008-05-23 2008-05-23 11:56:32 by wxjbuilder
    [Gaussian] [求助]在高斯模拟时能在团簇上加上压力吗 (2/192) lcl211 2008-05-23 2008-05-23 11:38:31 by wxjbuilder
    [Gaussian] 【求助】计算不循环…… (8/382) 华梅·李 2008-05-20 2008-05-23 09:03:36 by huahua1981
    【求助】计算径向分布函数和配位数的小程序 (6/973) suny2005 2008-05-21 2008-05-23 08:48:54 by suny2005
    [Gaussian] [求助]gaussianview看红外图谱 (7/648) 36du 2008-05-21 2008-05-22 22:52:51 by brover
    [求助]5金币求CPMD中的两个赝势文件 5 (7/433) suny2005 2008-05-07 2008-05-22 19:44:03 by suny2005
    【求助】如何构建硅酸盐模型？ (0/97) 友风 2008-05-22 2008-05-22 11:31:51 by 友风
    [Gaussian] 【求助】gaussian03 计算中虚频的处理    ( 1 2 ) (11/1685) majun04 2008-05-16 2008-05-21 21:48:23 by 604gq
    [Gaussian] [求文献]多谢帮忙啊 (0/77) lcyin 2008-05-21 2008-05-21 21:42:04 by lcyin
    [Gaussian] [求助]用MP4 优化出错 (1/127) lvzy 2008-05-20 2008-05-21 21:20:05 by bingfei101
    [Gaussian] [求助]如何用gauss计算键级？ (1/211) zhmj 2008-05-21 2008-05-21 19:54:01 by jghe
    [Gaussian] 【共享资料】How to handle a SCF convergence fail (Link 502) (4/583) jjf_sxnu 2008-05-20 2008-05-21 19:16:23 by jjf_sxnu
    [Gaussian] [求助]加不加nosymm有什么区别 (5/620) huahua1981 2008-05-16 2008-05-21 16:13:01 by yaowenzhi
    [Gaussian] [求助]gaussian计算又出错,受伤! (8/735) 36du 2008-05-19 2008-05-21 16:06:16 by hairan
    [Gaussian] 【求助】Gaussian03周期方法计算石墨出错 (4/826) canbill 2008-05-20 2008-05-21 13:24:27 by canbill
    [Gaussian] 【求助】高斯中的问题 (0/129) zhaideming 2008-05-21 2008-05-21 11:10:21 by zhaideming
    [Gaussian] 【求助】计算体系的基组选和方法搭配资料 2 (5/475) wanshidaji 2008-05-20 2008-05-21 09:30:32 by longer163
    [Gaussian] 【求助】有关ONIOM (0/148) gylai_ustc633 2008-05-21 2008-05-21 09:15:25 by gylai_ustc633
    [Gaussian] 【求助】charge decomposition analysis 和 energy partitioning analysis(EPA)计算？ (0/153) chemniu 2008-05-21 2008-05-21 08:56:18 by chemniu
    [Gaussian] [求助】激发态的频率计算有什么特殊要求吗 (6/517) lixiaona158 2008-05-20 2008-05-21 08:28:45 by lixiaona158
    [求助]pdb文件的格式是什么啊 (3/650) jingyybuaa 2008-05-12 2008-05-21 07:58:09 by iamsw
    [Gaussian] 【求助】 如何用高斯计算激发态反应机理 (4/501) ppshanshanqiu 2008-04-21 2008-05-20 17:52:02 by ppshanshanqiu
    [Gaussian] 【求助】纳米二氧化钛分子结构的构建 6 (2/329) wanshidaji 2008-05-19 2008-05-20 17:17:44 by wanshidaji
    [Gaussian] [求助] 20 (0/80) loser2007 2008-05-20 2008-05-20 16:14:34 by loser2007
    [Gaussian] 【求助】激发能 (0/102) kewei09 2008-05-20 2008-05-20 15:45:26 by kewei09
    [Gaussian] 【求助】关于计算频率的基组选择问题    ( 1 2 ) (10/746) ppshanshanqiu 2008-02-25 2008-05-20 10:38:42 by tsihu
    [Gaussian] 【求助】win下Gaussian64位 (2/426) vividelife 2008-05-19 2008-05-20 10:19:18 by vividelife
    [Gaussian] [求助]请问用高斯算羰基强弱用什么参数？ (3/408) 神童熙熙 2008-05-16 2008-05-19 22:05:31 by 神童熙熙
    [Gaussian] 【讨论】Gaussian支技双核吗？    ( 1 2 ) (12/897) qchem 2008-04-28 2008-05-19 17:17:20 by longer163
    [Gaussian] 【求助】关于电子态 (4/414) xiaowandouer 2008-05-18 2008-05-19 11:14:23 by xiaowandouer
    [Gaussian] (求助)为什么不是502错误 (0/132) su571 2008-05-19 2008-05-19 08:18:32 by su571
    [Gaussian] 【求助】g03 IA32下载的链接 (2/228) chshengyao 2008-05-17 2008-05-19 07:20:19 by chshengyao
    【求助】蛋白分子同源模建后，做能量最小化真的很重要吗？    ( 1 2 ) (12/1277) genedemon773 2008-05-02 2008-05-19 00:47:34 by bioinflab
    [Gaussian] [求助] 考虑溶剂化效应优化了一个几何构型，怎样算其单点能 (5/656) tpp001 2008-05-13 2008-05-18 21:21:03 by tpp001
    [Gaussian] (求助)错误修改 (0/90) su571 2008-05-18 2008-05-18 20:25:47 by su571
    [Gaussian] 【求助】gaussian 中关于坐标的问题 10 (1/162) muchongpaper 2008-05-18 2008-05-18 15:51:09 by tiger001968
    [Gaussian] 【求助】g03 emt64下载的链接 (7/394) hairan 2008-05-17 2008-05-18 13:38:24 by hairan
    [Gaussian] [求助]怎么导出高斯输出文件中某个变量的值？我想用别的软件作图分析 (6/448) hbinjm 2008-05-16 2008-05-17 18:50:48 by hbinjm
    [Gaussian] 【求助】杂化泛函与非杂化泛函的区别 (3/1800) liutao_jlu822 2008-05-15 2008-05-17 15:44:31 by wxjbuilder
    【求助 InsightII 并行】谁知道如何将InsightII并行 (6/303) superfan 2008-05-14 2008-05-17 14:50:26 by hairan
    [Gaussian] 【分享】简易拟合软件 (1/301) xbcs1985 2008-05-15 2008-05-17 13:35:11 by bingfei101
    [Gaussian] 求gaussian 03 英文版的PDF (评阅-2) (5/386) miao1980 2008-02-01 2008-05-17 12:16:50 by longer163
    [Gaussian] 【求助】核磁计算中标准物的计算    ( 1 2 ) (16/942) 北京一叶567 2008-05-08 2008-05-17 09:59:50 by 北京一叶567
    [Gaussian] [求助]gaussian计算后一个化学键消失了 (7/487) 36du 2008-05-15 2008-05-16 16:42:42 by tsihu
    [Gaussian] 求助：Gaussian 运算中SCF错误的问题分析 2 (评阅-2) (2/336) yuguotianqing 2008-05-16 2008-05-16 13:17:57 by yuguotianqing
    【求助】rdf    ( 1 2 ) (12/846) gamma337 2008-05-14 2008-05-16 11:38:24 by gamma337
    【求助】Andersen调压    ( 1 2 ) (10/623) gamma337 2008-05-10 2008-05-16 11:30:59 by gamma337
    [NBO/AIM] [求助]谁有AIM2000完全版的安装程序，发给我好吗 (1/185) gaohongmei128 2008-05-16 2008-05-16 09:44:13 by 虚谦
    [Gaussian] [求助] Gaussian所能计算的体系含原子最多能多少 (3/537) gaohongmei128 2008-05-13 2008-05-16 09:01:51 by cuihang
    [Gaussian] 一本好书<使用Gaussian 研究化学问题> (24/1033) yishen 2007-12-15 2008-05-16 01:19:21 by heterocycle-bo
    [Gaussian] 【求助】高斯中的问题 (0/123) zhaideming 2008-05-15 2008-05-15 17:51:54 by zhaideming
    【求助】关于abmer中求resp电荷问题 (0/102) bents 2008-05-15 2008-05-15 14:57:30 by bents
    [Gaussian] [求助]Mulliken charge and mulliken population (6/747) chenzi2010 2008-05-14 2008-05-15 12:33:30 by 北京一叶567
    [Gaussian] 求gaussian 98 安装软件 5 (评阅-2) (9/476) whongj 2008-05-15 2008-05-15 10:47:04 by whongj
    [Gaussian] 【求助】伸出我们的援助之手 (7/471) wanshidaji 2008-05-13 2008-05-15 09:53:55 by whongj
    [Gaussian] [求助]Mayer bond orders & Mayer total valence (0/163) chenzi2010 2008-05-15 2008-05-15 08:38:12 by chenzi2010
    [Gaussian] [求助]gaussian中如何生成.esp文件 (1/131) jingyybuaa 2008-05-14 2008-05-14 21:37:20 by wxjbuilder
    [Gaussian] 【求助】高斯中的问题 (1/114) zhaideming 2008-05-14 2008-05-14 21:25:52 by wxjbuilder
    【讨论】关于蛋白质pdb文件修复的问题！[已解决] (评阅+1) (3/382) zhlrui 2008-05-05 2008-05-14 19:47:24 by bioinflab
    [Gaussian] 【求助】求个Al2O3的Cluster模型 1 (0/139) qchem 2008-05-14 2008-05-14 19:01:21 by qchem
    [Gaussian] [求助]Mulliken charge and mulliken population (0/180) chenzi2010 2008-05-14 2008-05-14 17:34:20 by chenzi2010
    [Gaussian] 【求助】如何修改高斯程序中的弥散基组 (3/413) bents 2008-05-13 2008-05-14 17:32:30 by tsihu
    [Gaussian] 【求助】 Gaussian 03软件及其中文使用说明?谢谢! (5/594) chenjing4210 2008-05-12 2008-05-14 17:31:00 by tsihu
    [Gaussian] [求助] 激发态计算的问题 (5/419) javy 2008-05-13 2008-05-14 17:29:52 by tsihu
    [Gaussian] 【求助】高斯怎么计算化合物的　多种　能量值 (0/107) xiaokeaini83 2008-05-14 2008-05-14 16:36:35 by xiaokeaini83
    [Gaussian] 【求助】gaussian03 优化无水醋酸锌结构遇到问题    ( 1 2 ) 5 (10/872) majun04 2008-05-12 2008-05-13 16:39:50 by 狼外婆
    求gausisan和gaussview的使用方法 8 (评阅-2) (5/835) yincw2003 2008-03-30 2008-05-13 16:08:09 by yanyang8069
    [关贴]【求助】问题已经解决。谢谢sunmuer 兄弟。请版主帮手转移金币。谢谢 50 (评阅-49) (6/322) yqlyql 2008-05-12 2008-05-13 13:26:25 by yqlyql
    [Gaussian] 【求助】高斯中分子态的问题 (1/100) zhaideming 2008-05-12 2008-05-13 01:35:42 by beefly
    [Gaussian] 【求助】gaussian03 优化无水醋酸锌结构遇到问题 (0/101) majun04 2008-05-12 2008-05-12 23:11:51 by majun04
    求助：纳米团簇的自旋多重度问题 1 (评阅-2) (1/140) wfqinghua 2008-05-12 2008-05-12 22:01:30 by jghe
    [Gaussian] 【求助】问大家一点高斯问题 (0/114) zhaideming 2008-05-12 2008-05-12 17:34:32 by zhaideming
    [Gaussian] 【求助】问大家一点高斯问题 (2/428) zhaideming 2008-05-04 2008-05-12 15:31:59 by zhaideming
    [Gaussian] 【求助】 求文献 10 (1/70) lixiaona158 2008-05-12 2008-05-12 14:52:21 by lixiaona158
    [Gaussian] 【求助】用高斯构造纳米团簇 奖励5个金币 (1/172) wanshidaji 2008-05-12 2008-05-12 10:54:20 by wxjbuilder
    【求助】谁投过theoretical chemistry accounts 的稿啊？ (2/312) 自由港口 2008-05-01 2008-05-12 08:52:52 by 自由港口
    AMBER 9 Users’ Manual 下载 (4/271) zuoyinglin 2008-04-22 2008-05-12 06:52:42 by liujianhua
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