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    [热点] 推荐一本书 zxl1021 2026-01-15 刚刚
    [Gaussian] 【求助】关于BLA (0/101) 贾贾 2009-03-02 2009-03-02 21:23:56 by 贾贾
    【求助】：关于高分子模拟 (1/198) xutianjun 2009-03-02 2009-03-02 19:57:52 by jghe
    [其他] 【求助】请问分子模拟领域有那些大牛啊？ (2/155) shabeir 2009-02-19 2009-03-02 19:51:40 by gwdavid
    [其他] 【讨论】有人用hyades软件做模拟的吗？ (0/107) QQQ9589 2009-03-02 2009-03-02 16:19:22 by QQQ9589
    [版务] 【值日制度】每人一天,不合适请提出,谢谢合作 (0/73) erylingjet 2009-03-02 2009-03-02 15:35:02 by erylingjet
    [Gaussian] 【求助】基组问题    ( 1 2 ) (11/449) yuhuobuku 2009-02-28 2009-03-02 15:14:40 by 贾贾
    [Gaussian] 【求助】linux中gaussian计算如何用大内存 (3/356) quppy 2009-03-01 2009-03-02 13:24:51 by zuoyinglin
    [其他] 【求助】求算一个简单物质的空间结构, 100bb（结束） (2/140) dellus 2009-03-02 2009-03-02 11:06:47 by dellus
    【求助】Gaussian格点文件格式 (3/329) xiaosy567 2009-02-27 2009-03-02 09:10:26 by zhou2009
    [Gaussian] 【求助】请问我这样设置基组合适吗？ (5/261) nyzhaoyin 2009-02-28 2009-03-02 07:54:39 by lixiaona158
    【求助】征求ME 模拟 聚合物 体系方法 (1/150) bear2007 2009-02-26 2009-03-01 16:58:59 by xutianjun
    [求助]请问谁做v2o5五氧化二钒吗？ (0/103) poco1001085 2009-03-01 2009-03-01 15:25:41 by poco1001085
    [Gaussian] 【 求助】高斯计算中能量单位是A.U.吗    ( 1 2 ) (11/3139) abin21 2008-03-28 2009-03-01 14:49:29 by Ben9908
    [Gaussian] 【求助】Gaussian结果的写作与分析 (6/523) zhihui024 2009-02-24 2009-03-01 08:09:00 by Ben9908
    [Gaussian] 【求助】Ni的表面如何用Gaussian建模？ 4 (2/162) zjy1818 2009-02-28 2009-03-01 00:16:28 by zjy1818
    [Gaussian] 【求助】麻烦问一下共振式的优化问题 (3/266) tengqf 2009-02-28 2009-02-28 22:42:56 by jiewei
    [Gaussian] 【求助】高斯计算出现两个大小相当的虚频 (评阅+1) (4/684) Jldbaobei 2009-02-28 2009-02-28 14:50:35 by Jldbaobei
    [其他] 【求助】请问关于分子模拟的小问题    ( 1 2 ) (18/945) martin7 2009-02-23 2009-02-28 14:21:03 by martin7
    [其他] 【讨论交流】关于Amber中的mm_pbsa的计算    ( 1 2 ) (19/763) fantastic 2009-02-24 2009-02-28 13:15:24 by Ben9908
    [其他] 【求助】Lennard-Jones potential中的参数确定 (5/764) zhangshaofu2004 2009-02-27 2009-02-28 12:50:45 by zhangshaofu2004
    【求助】Gaussian作scan出错怎么办 (2/180) 晓馨 2009-02-21 2009-02-28 11:02:57 by wuhanhgf2002
    [Gaussian] 【求助】CPHF错误 1 (4/749) sizj 2009-02-22 2009-02-28 02:40:24 by mchen10
    [Gaussian] 【求助】高斯计算单点能想要电荷用了PBC，报错。MDV<1 (9/874) 胭脂。花开 2009-02-26 2009-02-28 01:46:25 by mchen10
    [Gaussian] 【求助】厦大高斯论坛怎么上不去了？ (1/215) linxi1454 2009-02-27 2009-02-27 12:29:00 by weixuesong
    [Gaussian] 【求助】Gasussian计算时自动关闭是怎么回事？ (5/413) xiekf1985 2009-02-20 2009-02-27 12:13:56 by chshengyao
    [Gaussian] [专家] 【求助】分子的三线态能级用什么方法和基组合适 (4/384) jiewei 2009-02-23 2009-02-27 10:53:33 by jiewei
    [Gaussian] 【求助】b3lyp 与blyp有什么区别啊？ (4/1787) abin21 2009-02-19 2009-02-26 22:12:46 by suntao1982
    [其他] 【求助】哪个有WINDOWS 下的LIGPLOT，能发给我一份吗THANKS (2/287) stevesluo 2009-02-24 2009-02-26 18:52:58 by stevesluo
    [Gaussian] 【求助】该内存不能为read (3/297) yyx19840628 2009-02-26 2009-02-26 15:56:47 by erylingjet
    [ChemOff ] 【求助】用chem3D怎样得到键能？ 1 (1/264) dly2867 2009-02-26 2009-02-26 15:30:48 by erylingjet
    [其他] 【求助】短肽和蛋白对接软件 (0/108) foradun 2009-02-26 2009-02-26 11:49:09 by foradun
    [其他] 【求助】该用什么模拟软件 (7/520) geode 2009-02-18 2009-02-25 15:42:14 by geode
    [Gaussian] 【求助】ΔEele-nuc 2 (4/288) yyx19840628 2009-02-15 2009-02-25 13:41:34 by yyx19840628
    [Gaussian] 【求助】Gaussian运行错误 (1/135) hxwyy2005 2009-02-24 2009-02-25 13:05:05 by mchen10
    [Gaussian] 【求助】Gaussian03 linux下安装问题    ( 1 2 ) (17/1231) hbzjdd 2009-01-02 2009-02-25 12:56:34 by abbott
    [Gaussian] 求助关于溶剂化能的问题 (评阅-2) (2/201) skylee686 2009-02-23 2009-02-25 06:51:12 by dolphin618
    [Gaussian] 【求助】高斯计算过渡态中出现的收敛及频率问题求助 (3/813) Jldbaobei 2009-02-24 2009-02-25 06:07:42 by caipingl
    [Gaussian] 【求助】请问MTBE的介电常数是多少啊？ 5 (0/98) jrayty 2009-02-24 2009-02-24 19:13:25 by jrayty
    [Gaussian] 【求助】怎样从HOMO,LUMO看两个分子能否发生化学反应 (评阅+1) (7/945) yuyu7926 2009-02-22 2009-02-24 16:14:48 by yuyu7926
    [Gaussian] 【求助】急！有什么手册可以查有机物的键参数 3 (0/63) yuyu7926 2009-02-24 2009-02-24 16:03:22 by yuyu7926
    [其他] 【求助】液滴在基板上的铺展该用什么软件模拟呢 (1/135) lqllinqiaoli 2009-02-21 2009-02-24 10:11:41 by lei0736
    [Gaussian] 【分享】Gaussian 程序频率计算中的几个问题 (评阅+3) (2/257) liuylyxzs 2009-02-21 2009-02-24 09:30:06 by handongxue1011
    [Gaussian] 【求助】构象问题 2 (3/376) chshengyao 2009-02-22 2009-02-24 08:34:17 by wuhanhgf2002
    [Gaussian] 【求助】该用什么方法和基组好？ (0/83) yuyu7926 2009-02-23 2009-02-23 22:38:58 by yuyu7926
    [量化图形 ] 【求助】Gview如何使电极原子成键 (2/141) fan0221 2009-02-22 2009-02-23 14:12:59 by fan0221
    [其他] 【求助】几个生物模拟方面的概念及操作 (0/77) qzhaosdu 2009-02-23 2009-02-23 11:15:56 by qzhaosdu
    [Gaussian] 【求助】自由基优化电荷和自旋度的设置 (3/368) xuhu_11 2009-02-22 2009-02-23 08:35:42 by xuhu_11
    [量化图形 ] 【求助】用Gaussview计算振动频率为什么为负? (5/669) walton 2009-02-21 2009-02-22 18:38:18 by lib200410
    [Gaussian] 【求助】请问：SCF=NoVarAcc是什么意思？ (2/1215) sunjx 2009-02-22 2009-02-22 18:21:21 by sunjx
    [Gaussian] 【求助】对称性约束下的优化 (9/523) ZJboy 2009-02-19 2009-02-21 23:25:14 by ZJboy
    [Gaussian] 【求助】两个名词不理解 (评阅+1) (6/506) 皓儿165 2008-12-30 2009-02-21 18:58:21 by liuylyxzs
    [Gaussian] 【求助】能否加小电场达到l小于毫伏每埃的量级 (4/367) hbnuwangshuling 2009-02-06 2009-02-21 15:53:53 by hbnuwangshuling
    [Gaussian] 【求助】counterpoise中遇到的问题 (7/868) sophy8069 2009-02-18 2009-02-21 15:45:33 by sophy8069
    [其他] 【求助】 请教研究分子间作用力用什么软件模拟合适？ (2/305) pollyan 2009-02-20 2009-02-21 13:39:53 by pollyan
    [Gaussian] 【求助】单电子近似与原子轨道线性组合(LCAO)有什么矛盾之处吗？ (6/1229) hxy366 2009-02-20 2009-02-21 12:35:49 by quantumor
    [Gaussian] 求助 (评阅-2) (1/81) highlight98 2009-02-21 2009-02-21 12:25:43 by erylingjet
    [Gaussian] 【分享】Guassian03几个版本的网盘下载    ( 1 2 ) (59/6583) gromacs 2008-03-13 2009-02-21 10:27:36 by highlight98
    [其他] 【求助】关于ATK、VNL和siesta的应用 (2/210) xiaoli5005 2009-02-20 2009-02-20 20:12:27 by jghe
    [Gaussian] 【求助】带电荷有机基团计算出错 (4/526) wangtaosdu 2009-02-20 2009-02-20 15:41:29 by wangtaosdu
    给做分子动力学（GROMACS）的初学者 (19/1623) hqhe 2008-06-17 2009-02-20 13:32:45 by nation1717
    [Gaussian] 【求助】请问，在ＩＲＣ计算中出现Ｌ５０８错误应该怎么办啊？ (3/297) jrayty 2009-02-17 2009-02-20 13:29:58 by mchen10
    [Gaussian] 【求助】geom=allcheck 到底读取的哪里的构型？ (5/1440) abin21 2009-02-19 2009-02-20 10:34:20 by abin21
    [Gaussian] 【求助】总是502错 (1/128) zhaideming 2009-02-19 2009-02-20 08:49:05 by erylingjet
    [Gaussian] 【求助】SYBYL或Gaussian]可以做 两个小分子之间的相互作用（比如氢键）的模拟吗？ (5/484) xingyaozhi 2009-02-18 2009-02-20 04:10:58 by mchen10
    [Gaussian] 【求助】用高斯计算晶体水合能？ 5 (3/336) juju550 2009-02-18 2009-02-19 20:30:04 by jghe
    [Gaussian] 【求助】过渡态计算 2 (3/432) zhangwc5020 2009-02-13 2009-02-19 10:24:08 by xuhu_11
    [Gaussian] 【求助】给介绍个课题做吧！ (5/491) mjg678 2008-09-04 2009-02-19 10:00:30 by xuhu_11
    [Gaussian] 【求助】为什么会这样呢？ (3/260) zhaideming 2009-02-18 2009-02-18 20:28:26 by jghe
    [Gaussian] 【求助】关于输入文件 (1/111) zhaideming 2009-02-18 2009-02-18 20:15:04 by jghe
    [量化图形 ] 【求助】linux下装gv时碰到的小问题 2 (4/300) sizj 2009-02-16 2009-02-18 19:28:46 by sizj
    [量化图形 ] 【求助】怎样能够保存GaussView中的振动过程视频？ (4/566) kgodspeed 2008-12-18 2009-02-18 18:01:43 by kgodspeed
    [Gaussian] 【求助】激发态振子强度的问题 (4/952) javy 2009-02-17 2009-02-18 15:26:01 by javy
    [Gaussian] 【求助】已解决!在输入文件中如何加极化函数 3 (5/377) handongxue1011 2009-02-17 2009-02-18 08:01:55 by mengxianggao
    [量化图形 ] gaussianview3打不开gif和out格式的文件 (2/156) dingfmail 2009-02-11 2009-02-17 23:07:55 by dingfmail
    [NBO/AIM] 【求助】请教nbo问题 (1/267) forestwolf9291 2009-02-17 2009-02-17 22:01:35 by erylingjet
    [Gaussian] 【交流】关于计算中建模的问题 (4/197) hyliu0618 2009-02-16 2009-02-17 18:13:27 by bay__gulf
    [其他] 【求助】有了解这位老师的吗？Tetsuya Taketsugu (0/78) minmin_0082003 2009-02-17 2009-02-17 15:28:15 by minmin_0082003
    [Gaussian] 過渡態計算出錯 (评阅+2) (8/284) yetaibing 2009-02-16 2009-02-17 11:09:19 by yetaibing
    [Gaussian] [求助]Gaussian 怎么算π电荷密度？ (0/119) 466902981 2009-02-17 2009-02-17 10:41:14 by 466902981
    [Gaussian] 【求助】安装linux以后遇到的小问题---解决了。 6 (5/409) sizj 2009-02-14 2009-02-16 17:47:17 by bay__gulf
    [Gaussian] 【求助】高斯优化出错,请教 (4/543) erylingjet 2009-02-15 2009-02-16 13:25:35 by yuhuobuku
    [Gaussian] 【求助】巯基中S的部分电荷(partial charge)约为多少？ (评阅-47) (4/398) gwdavid 2009-02-15 2009-02-16 09:10:15 by suny2005
    [Gaussian] 【求助】l607出错如何解决 4 (4/433) tengqf 2009-02-15 2009-02-16 08:37:24 by yyx19840628
    [Gaussian] 【求助】高斯中量的单位 (0/109) minisun 2009-02-15 2009-02-15 21:36:47 by minisun
    [Gaussian] 【求助】过渡金属的吸收光谱在单机上算不过去怎么回事? 3 (6/419) sizj 2009-02-11 2009-02-15 18:45:00 by sizj
    [Gaussian] 【求助】关于调试程序的    ( 1 2 ) (12/539) 忘尘天空 2009-02-13 2009-02-15 15:50:34 by 忘尘天空
    [NBO/AIM] 【求助】关于NBO分析键级    ( 1 2 ) (评阅+2) (10/2067) majun04 2009-02-10 2009-02-14 20:05:29 by sdjgdu
    [Gaussian] 【求助】超极化率，有限场法 1 (6/667) greatsea1212 2008-11-14 2009-02-14 13:30:53 by yuhuobuku
    [Gaussian] 求助:各过渡金属原子的电子态. (评阅-2) (1/115) yuguotianqing 2009-02-14 2009-02-14 10:50:57 by mchen10
    [Gaussian] 【求助】Marcus理论内容？ (2/246) hbnuwangshuling 2009-02-13 2009-02-14 03:14:45 by mchen10
    [Gaussian] 【求助】gaussian计算出错 (3/366) weirr06@lzu.cn 2009-02-13 2009-02-14 00:37:09 by caipingl
    [Gaussian] 【求助】下面这个图如何分析呢？ (3/254) hbnuwangshuling 2009-02-13 2009-02-13 15:22:37 by erylingjet
    [Gaussian] 【求助】Gasussian计算时自动关闭是怎么回事？ (5/373) weirr06@lzu.cn 2009-02-10 2009-02-13 13:19:37 by 313588908
    [Gaussian] 【分享】量子化学计算的一般性规则的验证 (评阅+2) (2/501) miaoskypop 2009-02-12 2009-02-13 11:39:09 by quantumor
    [Gaussian] 【求助】gaussian出错 (3/277) weirr06@lzu.cn 2009-02-12 2009-02-13 10:22:27 by weirr06@lzu.cn
    [Gaussian] 溶剂化CPCM半径选择 2 (0/202) abin21 2009-02-13 2009-02-13 09:01:20 by abin21
    [其他] 我新创建了一个固体量化群，邀请朋友加入讨论 (评阅+3) (1/130) angwyg3 2009-02-11 2009-02-12 21:43:57 by erylingjet
    【求助】用autodock对接时,配体中的氢怎么处理? (0/207) yitianle 2009-02-12 2009-02-12 17:17:13 by yitianle
    [Gaussian] 【求助】国内和国外做分子模拟计算的牛人    ( 1 2 3 ) (20/2179) ZHL0627 2008-12-15 2009-02-12 14:54:59 by wsgchem
    【求助】autodock3与autodock4    ( 1 2 ) (11/812) gwdavid 2008-12-13 2009-02-12 00:42:03 by yitianle
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