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    [热点] Materials Today Chemistry审稿周期 影66 2026-01-15 刚刚
    [Gaussian] 【求助】怎样在SWizard里面进行高斯拟合，急！ (3/392) grape_0805 2009-03-26 2009-03-26 22:11:11 by erylingjet
    [Gaussian] 【求助】SWizard的free-format ASCII text files怎么写 (1/140) grape_0805 2009-03-26 2009-03-26 22:04:56 by erylingjet
    [其他] 【求助】有关取代基的一些参数 (2/137) yxy2007 2009-03-26 2009-03-26 19:26:02 by yxy2007
    [Gaussian] 【求助】高斯计算弹出的错误 (6/462) kakaxisensee 2009-03-25 2009-03-26 17:15:14 by nyzhaoyin
    [Gaussian] 【求助】有关ee值 (4/385) gylai_ustc 2009-03-26 2009-03-26 17:10:15 by nyzhaoyin
    [Gaussian] 【求助】我写的Cu的gaussian输入文件有什么问题呢？ (5/400) zhoulx 2009-03-21 2009-03-26 15:49:29 by tsihu
    [Gaussian] 【求助】对称性 (2/164) sunlong650 2009-03-26 2009-03-26 15:43:42 by tsihu
    [版务] 请各位版主到区务版领取3月份福利！ (0/56) woshilsh 2009-03-26 2009-03-26 15:16:01 by woshilsh
    [Gaussian] 【求助】优化激发态出错    ( 1 2 ) (12/559) nxf_2008 2009-03-23 2009-03-26 09:07:54 by nxf_2008
    【求助】安装sybyl出错了救命啊 (3/451) 子陵263 2009-03-20 2009-03-26 07:56:56 by 子陵263
    [Gaussian] 【求助】混合基组下过渡态的优化 (0/147) nyzhaoyin 2009-03-25 2009-03-25 15:20:29 by nyzhaoyin
    [Gaussian] 【求助】关于gaussian输出图形的问题 (5/335) yxb727 2009-03-21 2009-03-25 13:00:25 by yxb727
    [Gaussian] 【求助】如何拟合PES谱？ (0/105) sculhf 2009-03-25 2009-03-25 11:33:36 by sculhf
    [Gaussian] 【求助】谁有util.so给我一份呗 (8/422) handongxue1011 2009-03-24 2009-03-25 09:39:54 by snoopyzhao
    [其他] 【求助】相互作用能模拟 3 (3/386) xchboss 2009-03-24 2009-03-25 09:25:11 by qixingbao07
    [Gaussian] 【求助】醋酸和水分子氢键相互作用能的计算和研究    ( 1 2 ) (10/1270) 沁蓝XT 2009-01-10 2009-03-25 02:50:29 by mchen10
    [其他] namd2.7b1已经发布 (1/115) liuyihua 2009-03-24 2009-03-25 00:01:58 by xuefei06
    【求助】flexX如何准备配体分子 (7/472) swordzj858 2009-03-23 2009-03-24 20:34:19 by nkyx
    [Gaussian] 【求助】Unix下装高斯的问题 (2/185) handongxue1011 2009-03-24 2009-03-24 16:29:38 by snoopyzhao
    [Gaussian] 【求助】关于高分子模型的建立 5 (0/143) yxb727 2009-03-24 2009-03-24 13:43:47 by yxb727
    [Gaussian] 【分享】消除虚频的技巧 (评阅+1) (8/1266) nyzhaoyin 2009-03-21 2009-03-24 13:33:23 by nyzhaoyin
    [其他] [专家] [关贴]【求助】HOMO，LUMO图的背景 (0/160) jiewei 2009-03-24 2009-03-24 13:11:36 by jiewei
    [量化图形 ] 【求助】GV打开文件出错 (4/340) erylingjet 2009-03-24 2009-03-24 10:38:16 by erylingjet
    【求助】如何处理径向分布函数    ( 1 2 3 ) (26/1652) abc6394490 2008-04-17 2009-03-24 09:18:02 by nkyx
    [其他] [专家] 【求助】HOMO，LUMO图 (3/484) jiewei 2009-03-23 2009-03-23 22:25:55 by jjf_sxnu
    [Gaussian] 【求助】还未解决继续求助啊 磁矩（magnetic moment）的关键词 4 (4/395) sculhf 2009-03-10 2009-03-23 17:44:41 by sculhf
    [其他] 【求助】计算GB/SA，Tinker应该如何配置？ (4/386) thirsty 2009-03-23 2009-03-23 16:34:27 by thirsty
    [Gaussian] 【求助】DFT中的交换势的物理意义 (2/452) forestwolf9291 2009-03-22 2009-03-23 12:37:00 by madonion
    [Gaussian] 【求助】怎样从高斯中得到Mulliken Valence Orbital Population (0/134) 学员NQWC8z 2009-03-23 2009-03-23 10:18:44 by leijinping7888
    [Gaussian] 【求助】优化出错 (评阅+1) (7/753) yuhuobuku 2008-12-17 2009-03-23 10:14:18 by leijinping7888
    [其他] 【求助】非竞争性抑制剂的实例 (3/539) gwdavid 2009-03-20 2009-03-23 10:07:51 by gwdavid
    【求助】flexX的如何准备配体分子 (1/225) swordzj858 2009-03-22 2009-03-23 09:05:37 by nkyx
    [Gaussian] 【交流】激发态.pdf (8/606) yuan888 2008-11-28 2009-03-23 05:04:42 by znet0201
    [NBO/AIM] 【求助】AIM分析每个原子怎么都带正电荷？ (0/170) Jasminer 2009-03-22 2009-03-22 21:22:55 by Jasminer
    [Gaussian] 【求助】VDE (9/530) yzcluster 2009-03-19 2009-03-22 13:41:20 by maomao6972
    [量化图形 ] 【求助】如何用GView图形化静电势 已完结 (3/472) 半支烟5591 2009-03-21 2009-03-22 10:35:41 by 半支烟5591
    [Gaussian] 【求助】请大家写一个用gaussian计算Cu原子结构的输入文件 (3/239) zhoulx 2009-03-21 2009-03-22 08:08:41 by nyzhaoyin
    [Gaussian] 【求助】关于Molden的使用（成反键轨道） (2/291) ZJboy 2009-03-19 2009-03-21 22:23:28 by ZJboy
    [其他] 【求助】insightII安装的source问题(ok了),但是启动不了,openGL窘啊 (3/490) 无声黑白破东风 2009-03-21 2009-03-21 21:53:45 by 无声黑白破东风
    [Gaussian] 【求助】电子波函数和振动波函数有什么区别啊 (3/340) lzhtou 2009-03-21 2009-03-21 20:28:40 by nyzhaoyin
    [Gaussian] 【求助】高手请进！团簇的电子亲和能与绝热拆分能有什么区别？ (8/490) sculhf 2009-03-20 2009-03-21 20:07:24 by sculhf
    【求助】sybyl7.3的教程如何在linux下打开 (2/183) swordzj858 2009-03-21 2009-03-21 15:52:14 by snoopyzhao
    [Gaussian] 【求助】关于ccsd计算结果中，前线轨道电子占据情况 19 (1/132) zhaohuxian 2009-03-20 2009-03-20 22:53:10 by loovfnd
    [其他] 【求助】LigandScout 2.0 license (7/724) CKX 2008-09-24 2009-03-20 21:14:00 by liuyihua
    [Gaussian] 【求助】阴离子识别搜过渡态 (5/331) liujie5631 2009-03-20 2009-03-20 20:59:43 by jjf_sxnu
    [Gaussian] 【求助】单点能与对称性 (7/535) ZJboy 2009-03-15 2009-03-20 20:54:39 by jjf_sxnu
    [Gaussian] 【求助】关于优化阳离子或者阴离子 (4/335) nyzhaoyin 2009-03-20 2009-03-20 20:20:32 by jghe
    [Gaussian] 【求助】IRC输入文件的问题 5 (2/288) handongxue1011 2009-03-20 2009-03-20 18:33:05 by pllyf2006
    [Gaussian] 【求助】如何知道Gaussian中途退出时是计算到哪一步出的问题？？ (3/284) vigaryang 2009-03-19 2009-03-20 14:41:30 by lixiaona158
    [Gaussian] 【求助】L701错误 (3/1343) bents 2009-03-20 2009-03-20 14:37:53 by bents
    [Gaussian] 【求助】请问高斯里怎样计算同一个分子的不同构象的能量呢 (5/739) xudingwen 2009-03-18 2009-03-20 14:11:58 by nyzhaoyin
    [Gaussian] 【求助 】给推荐个配置    ( 1 2 ) (16/943) crystalzjy 2009-03-12 2009-03-20 11:48:54 by alwens
    【求助】我在虚拟机上的linux上安装autodock出问题了 (2/220) 子陵263 2009-03-20 2009-03-20 11:04:08 by 子陵263
    [Gaussian] 【求助】如何计算溶解自由能 8 (4/686) sn20056 2009-03-19 2009-03-20 09:38:44 by lei0736
    [量化图形 ] 【求助】g-view程序不能读取chk文件 (1/150) nyzhaoyin 2009-03-19 2009-03-19 16:53:23 by nyzhaoyin
    [Gaussian] 【分享】ＮＢＯ分析指导 (5/729) xuhu_11 2009-03-05 2009-03-19 12:50:35 by robinhoon
    [Gaussian] 【求助】Density matrix is not changing but... (0/94) ZJboy 2009-03-19 2009-03-19 12:03:32 by ZJboy
    [Gaussian] 【求助】高期中SCRF 模型的能量输出 (3/327) dingfmail 2009-03-05 2009-03-19 11:41:38 by S07111072
    [Gaussian] 求助 Gaussian计算 (评阅-2) (0/197) maruimin 2009-03-19 2009-03-19 11:12:14 by maruimin
    [量化图形 ] 【求助】GaussianView技巧 (2/339) 3667479 2009-03-17 2009-03-19 08:59:12 by 3667479
    [Gaussian] 【求助】RdWrOT: Data mismatch on MaxStp/MaxJob 5 (2/526) ntrip 2009-03-18 2009-03-18 22:50:50 by ntrip
    [Gaussian] 【求助】分子空间大小，求助，高手帮忙！谢谢！ 3 (9/292) shuiliushui 2009-03-13 2009-03-18 20:56:55 by shuiliushui
    [Gaussian] 【求助】用GAUSSIAN可以计算分子动力学问题吗？ (4/733) cici1916 2009-03-18 2009-03-18 19:37:24 by jghe
    [Gaussian] 【讨论】大家都用GUASSIAN 做什么呢？    ( 1 2 ) 2 (11/753) abin21 2009-03-13 2009-03-18 15:44:23 by czyzsu
    [Gaussian] 【求助】如何正确输入BSSE文件 (8/1334) bents 2009-03-17 2009-03-18 15:26:33 by yuhuobuku
    [量化图形 ] 【分享】姜-泰勒效应 (评阅+2) (1/1131) miaoskypop 2009-03-18 2009-03-18 12:47:55 by beefly
    [其他] 【求助】用于模拟计算的服务器配置 2 (8/587) yunling4499 2009-03-12 2009-03-18 09:53:31 by miaoskypop
    [Gaussian] 【求助】怎样进行光谱振动分析 (3/301) liujie5631 2009-03-15 2009-03-18 08:45:39 by liujie5631
    [ADF/Dal ] [求助]ADF出错 (0/135) sdjgdu 2009-03-17 2009-03-17 19:45:54 by sdjgdu
    [量化新手 ] [科研经验】科研入门 (评阅+1) (1/296) highlight98 2009-03-17 2009-03-17 18:16:51 by snoopyzhao
    [Gaussian] 【求助】MOPAC新手求助：shift the virtual M.O. energy level (1/130) vigaryang 2009-03-17 2009-03-17 18:15:30 by snoopyzhao
    [其他] 【求助】苹果酸二丁酯的物性数据 (0/116) linhuier126 2009-03-17 2009-03-17 11:30:55 by linhuier126
    【求助】Sybyl中系统构象搜索的原子选择依据 (0/169) 战虎 2009-03-17 2009-03-17 10:39:19 by 战虎
    [求助]Sybyl中系统构象搜索的原子选择依据 (0/110) 战虎 2009-03-17 2009-03-17 09:34:21 by 战虎
    [Gaussian] 【求助】如何在gaussian03中构建铜原子构型，并计算其LUMO和HOMO? 5 (3/371) riodiego 2009-03-17 2009-03-17 09:33:06 by yuhuobuku
    [Gaussian] 【求助】输出文件中出现这句话意味着什么? (1/152) handongxue1011 2009-03-17 2009-03-17 09:26:11 by yuhuobuku
    [Gaussian] 【求助】（这样的三维数据如何读啊）20个金币求 20 (5/296) zhouhui405 2009-03-16 2009-03-16 17:27:38 by snoopyzhao
    [Gaussian] 【求助】请问如何在几个氨基酸中间再加一个呢？ (2/147) pengjuan296 2009-03-10 2009-03-16 16:53:00 by sunmuer
    [Gaussian] 【求助】MOHO与LUMO的能量差越大,分子越稳定吗? (7/1112) wuweixin 2009-03-06 2009-03-16 14:53:44 by yuhuobuku
    [Gaussian] 【求助】opt过程中停电了，怎么继续算？算出的结果怎么存？谢谢！    ( 1 2 ) (10/800) 36du 2008-07-02 2009-03-16 14:13:52 by jiean9265
    [Gaussian] 【分享】价键理论 (评阅+10) (0/602) miaoskypop 2009-03-16 2009-03-16 09:49:05 by miaoskypop
    [Gaussian] 【求助】ELF图 (1/202) kmhaijun 2009-03-15 2009-03-16 09:34:12 by kmhaijun
    [Gaussian] 【求助】氢吸附 2 (2/203) zhangwc5020 2009-03-15 2009-03-15 22:04:42 by lei0736
    [Gaussian] 【求助】ELF图 (1/192) kmhaijun 2009-03-15 2009-03-15 22:04:29 by gwdavid
    [Gaussian] 【分享】Restarting incremental fock formation (0/171) erylingjet 2009-03-15 2009-03-15 21:40:15 by erylingjet
    [Gaussian] 【求助】电子亲和能与垂直拆分能怎么会一样？？ (4/561) sculhf 2009-03-15 2009-03-15 21:14:38 by sculhf
    [Gaussian] 【求助】散金币请教Photoelectron spectroscopy可以得到哪些重要的信息！！ (5/324) sculhf 2009-03-15 2009-03-15 21:13:17 by sculhf
    [Gaussian] [求助]热力学参数 (2/181) liujie5631 2009-03-15 2009-03-15 20:40:29 by erylingjet
    [Gaussian] 【分享】一些小资源 (10/844) zenzhiwen163 2009-02-19 2009-03-15 18:58:07 by 水月慧心
    [Gaussian] [关贴]link9999死掉 (2/165) zhanghejuan 2009-03-14 2009-03-15 14:06:33 by dralexandero
    [Gaussian] 【分享】关于gaussian的test (3/1276) hakuna 2009-03-07 2009-03-15 10:31:57 by bay__gulf
    [其他] [关贴][求助]请教高人一个关于surface roughness的问题 (0/84) prchina 2009-03-15 2009-03-15 07:43:17 by prchina
    [Gaussian] 【求助】菜鸟求助linux下gaussian运行不了 (7/475) quppy 2009-02-24 2009-03-15 01:38:29 by physics206
    [Gaussian] 【求助】MS4.3里的高斯和单独的高斯软件有什么区别 (2/293) liujie5631 2009-03-09 2009-03-15 01:07:51 by physics206
    [NBO/AIM] 【求助】NBO的问题。 10 (5/591) whongj 2009-03-12 2009-03-14 21:31:19 by whongj
    [Gaussian] 【求助】如何得知HOMO或LUMO中各个原子所占比重？ (5/508) yuyu7926 2009-03-13 2009-03-14 14:58:13 by yuyu7926
    [Gaussian] 【分享】gaussian 03w扫势能面不连续的解决方法 (评阅+1) (2/239) miaoskypop 2009-02-15 2009-03-14 10:28:46 by lei0736
    [Gaussian] 【求助】谁能详解一 下这个基组(cc-PVDZ)的含义？ 16 (6/1405) maomao1210 2009-03-12 2009-03-14 09:43:23 by maomao1210
    [Gaussian] 【求助】算溶剂效应出现L701错误    ( 1 2 ) (14/847) xjian2046 2009-03-10 2009-03-14 09:41:58 by handongxue1011
    [Gaussian] 【分享】guassian使用经验    ( 1 2 ) (+2.5) (评阅+4) (18/2567) miaoskypop 2009-02-10 2009-03-14 09:35:29 by handongxue1011
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