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    [热点] 基金正文30页指的是报告正文还是整个申请书 successhe 2026-02-21 刚刚
    [Gaussian] 【求助】ELF（electron localization function） (1/244) nanasj 2009-07-23 2009-07-23 15:45:26 by yjcmwgk
    [Gaussian] 【求助】CBS-QB3 (0/216) 布丁3835 2009-07-23 2009-07-23 09:55:55 by 布丁3835
    [Gaussian] 【求助】求助溶剂计算不收敛的解决方案。。。 (7/497) lxq05 2009-07-06 2009-07-23 09:53:58 by 虚谦
    [Gaussian] 【求助】有没有比较好的分析轨道耦合的软件？ (4/710) yjcmwgk 2009-07-22 2009-07-23 09:19:38 by yjcmwgk
    [Gaussian] 【求助】请问氢氧键的键长范围 (4/2357) lixiaona158 2009-07-15 2009-07-23 09:03:17 by bioinflab
    [Gaussian] 【求助】有没有人知道 DGDZVP基组的具体形式吗? (0/216) 时光匆匆 2009-07-22 2009-07-22 22:47:27 by 时光匆匆
    [Gaussian] 【求助】高斯算ESR的g因子用什么关键词 (2/283) xiguatailan 2009-07-22 2009-07-22 22:33:26 by 魔法帝国
    [Gaussian] 【求助】关于金属complexes溶剂校正的问题 (2/163) sam1868 2009-07-20 2009-07-22 22:29:21 by 魔法帝国
    [Gaussian] 【求助】gauss for windows算不下去了！求助gussian for linux    ( 1 2 ) (15/1167) flyskysky 2009-07-14 2009-07-22 21:22:46 by lsq_phi
    [Gaussian] 【求助】活化能计算 (7/1506) erylingjet 2009-02-03 2009-07-22 18:55:40 by lsq_phi
    [Gaussian] 【求助】PBC计算出错 (1/314) onion007 2009-07-22 2009-07-22 16:45:21 by yjcmwgk
    [Gaussian] 【求助】急！ 优化稀土的时候使用小核赝式不收敛怎么办？    ( 1 2 ) (13/659) lixiaona158 2009-07-21 2009-07-22 16:13:16 by lixiaona158
    [HyperCh ] 【求助】分子优化时怎么总出现error in openjing file f:chem.log (0/128) dongda986 2009-07-22 2009-07-22 15:49:42 by dongda986
    [其他] 【求助】pymol画图，如何选择多个残基 (1/365) goodmood 2009-04-17 2009-07-22 12:07:38 by nnxqwei
    [Gaussian] 【求助】电荷布居与共价键 (8/1044) xiaoqiu007 2009-07-19 2009-07-22 09:31:10 by yjcmwgk
    吸附催化的必备书籍 (8/984) junliangh 2008-08-18 2009-07-22 09:01:05 by tangcao
    [ChemOff ] 【求助】Chem 3D：如何才能显示优化后分子的各种性质 (1/280) CKX 2009-07-21 2009-07-21 19:40:10 by erylingjet
    [Gaussian] 【求助】关于Gaussian03版权的问题？    ( 1 2 ) (13/1070) zlf412 2009-07-10 2009-07-21 18:22:30 by jove1782
    [Gaussian] 【求助】零点能校正 (1/613) joyce_smile 2009-07-21 2009-07-21 11:05:31 by yflchx
    [Gaussian] 【求助】磁盘空间不足？ (8/1626) dummy1 2009-07-20 2009-07-21 10:57:33 by dummy1
    [Gaussian] 【求助】计算中出现Warning!!:是何原因？ (3/589) CKX 2009-07-21 2009-07-21 08:55:48 by 虚谦
    [Gaussian] 【求助】分子轨道和键级的图是怎样画出来的呢？（内详）    ( 1 2 ) (12/1125) loovfnd 2009-07-17 2009-07-20 22:17:19 by xuyawen3893
    [Gaussian] 【求助】两个分子HOMO，LUMO以及拉曼光谱类似能否说明电子结构相同    ( 1 2 ) (10/801) loovfnd 2009-07-16 2009-07-20 20:08:13 by yzcluster
    [Gaussian] 【求助】chk文件没法用 怎么办 (2/255) topten-gg 2009-07-20 2009-07-20 16:36:21 by topten-gg
    [Gaussian] 【求助】有CCDC晶体数据库的朋友帮忙查一个晶体文件 (5/433) zzhenry 2009-07-17 2009-07-20 16:05:15 by zzhenry
    [Gaussian] 【求助】Basis Set Superposition Error (BSSE)有什么用 (1/279) CKX 2009-07-17 2009-07-20 14:36:53 by yjcmwgk
    [Gaussian] 【求助】全优化可以，固定部分原子优化失败 (6/401) longyun80 2009-07-13 2009-07-20 14:11:48 by yjcmwgk
    【求助】GAUSSIAN中的COUNTERPOISE计算中,要不要加上OPT关键词 (评阅+1) (1/152) 172304 2009-07-18 2009-07-20 12:47:12 by 3667479
    [Gaussian] 【求助】高斯中轨道能量所用的单位    ( 1 2 ) (15/4540) tiechong 2009-07-09 2009-07-20 12:14:08 by 三张图
    [其他] 【求助】构建LaMnO3的bulk晶胞结构 (5/758) 七龙珠 2009-07-19 2009-07-20 11:06:20 by lei0736
    [Gaussian] 【讨论】高斯03中可以使用DGauss的基组吗？ (0/167) 时光匆匆 2009-07-19 2009-07-19 20:17:17 by 时光匆匆
    [其他] 【求助】“%% error” 是什么意思 (0/120) njn0516 2009-07-19 2009-07-19 18:41:28 by njn0516
    [Gaussian] 【求助】势能分布 (1/234) henuhaog 2009-07-18 2009-07-19 15:44:25 by piaoma
    [Gaussian] 【求助】关于金属complexes溶剂校正的问题 (0/155) sam1868 2009-07-19 2009-07-19 00:24:33 by sam1868
    [Gaussian] 【求助】大家能不能说一下自己在哪种linux下面运行gaussian    ( 1 2 3 ) (22/1577) blackwind 2008-09-02 2009-07-18 16:03:13 by zzhenry
    [Gaussian] 【求助】吸附问题 (2/177) qxh8419 2009-07-17 2009-07-18 15:07:14 by qxh8419
    [其他] 【求助】农药的销量 (1/133) aiyi313 2009-07-18 2009-07-18 11:07:58 by wuhanhgf2002
    [Gaussian] 【求助】请问激发态电荷分析 (9/777) yuxuan1976 2009-07-07 2009-07-18 10:42:43 by yuxuan1976
    [Gaussian] 【求助】IRC的问题 (1/220) qinhuaier 2009-07-15 2009-07-17 19:16:17 by robertpeter2005
    [Gaussian] 【求助】IRC结果求助 (5/486) nyzhaoyin 2009-04-08 2009-07-17 17:37:21 by qinhuaier
    [Gaussian] 【求助】急！！ (5/365) onion007 2009-07-16 2009-07-17 16:15:56 by zlding
    [Gaussian] 【求助】请问如何从频率计算out中得到生成热？ (8/1052) flyskysky 2009-07-16 2009-07-17 15:04:16 by flyskysky
    [Gaussian] 【求助】关于氢键络合物的求助 (4/744) snowliu2007 2009-07-16 2009-07-17 14:58:25 by snowliu2007
    [Gaussian] 【求助】aug-cc-pVDZ, D95V和6-311++(2d,p) (8/734) tiechong 2009-07-15 2009-07-17 13:19:58 by Jasminer
    [HyperCh ] 【求助】Hyperchem预测紫外可见光谱 (0/342) ling9802 2009-07-17 2009-07-17 09:39:30 by ling9802
    [Gaussian] 【求助】分子表面静电势的计算 (4/2174) zhumenjun 2009-07-14 2009-07-17 09:02:04 by zhou2009
    [Gaussian] [求助]如何使用高斯计算酸性或者碱性条件下的电荷分布 (9/1480) ghcacj 2008-08-29 2009-07-16 23:06:32 by wuchenwf
    [Gaussian] 【求助】如何书写计算分子反应动力学的input 文件 (3/374) ljhlj 2009-07-13 2009-07-16 21:30:34 by ljhlj
    [Gaussian] 【求助】请问下这是什么错误？？ (2/151) beckhansun 2009-07-15 2009-07-16 15:47:48 by yjcmwgk
    [Gaussian] 【求助】帮忙解释一下输出文件 (6/589) gexiaojing 2009-07-11 2009-07-16 13:57:54 by yjcmwgk
    [Gaussian] 【讨论】IRC只走出反应物，不走出产物，怎么办呢？ (1/366) qinhuaier 2009-07-15 2009-07-16 12:16:55 by 雪狼790
    [Gaussian] 【求助】计算RREQ=RAMAN，实验与理论比较，为何红外图可以符合很好，而拉曼图符合不好 (2/272) 刘莉689 2009-05-12 2009-07-15 23:33:47 by czt198511
    [Gaussian] 【求助】请问SDCI是什么方法？ (4/764) yuxuan1976 2009-07-14 2009-07-15 12:32:47 by beefly
    [Gaussian] 【求助】请教单光子态 (2/205) yuxuan1976 2009-07-14 2009-07-15 11:06:15 by mountainboy
    [其他] 【求助】请教一个问题 (0/87) lzh918 2009-07-15 2009-07-15 10:56:20 by lzh918
    [Gaussian] 【求助】IRC结果怪异，求高人指教 (2/289) qinhuaier 2009-07-14 2009-07-15 10:14:34 by qinhuaier
    [其他] 【求助】MS中的DPD模块中如何固定一部分珠子 (0/360) amoschen 2009-07-15 2009-07-15 09:16:02 by amoschen
    [Gaussian] 【求助】高水平下中间体能l量比过渡态高 (6/548) wangf811 2009-07-12 2009-07-15 09:14:26 by Jldbaobei
    [Gaussian] 精华I:  【讨论】关于某个键的键能，一个疑问    ( 1 2 ) (11/2059) yjcmwgk 2009-07-07 2009-07-15 01:16:51 by 青峰
    [HyperCh ] 【求助】求助：如何使用hyperchem 计算分子的 vibrational(振动)波长呢？？ (0/120) yanhong8753 2009-07-14 2009-07-14 22:28:33 by yanhong8753
    [Gaussian] 【求助】Gauss计算出错求助，no atoms in gcona？ (1/255) bingfei101 2009-07-14 2009-07-14 17:26:51 by Jasminer
    [其他] 【求助】求助 material stadio 4.3软件 (1/275) zhuimengren75 2009-07-13 2009-07-14 16:09:34 by lz830617
    [Gaussian] 【求助】如何看输出文件的结果？错误时怎么办呢？ (2/430) qinhuaier 2009-07-12 2009-07-14 15:33:00 by henuhaog
    [HyperCh ] 【求助】hyperchem怎么连接mopac? (3/529) gdqtve 2009-07-13 2009-07-14 14:12:34 by snoopyzhao
    [Gaussian] 【求助】IRC 里的stepsize设多大好？ (2/529) qinhuaier 2009-07-13 2009-07-14 11:43:23 by onion007
    [Gaussian] 【其他】关于不能收敛，再次请教 (7/1027) 雪狼790 2009-07-13 2009-07-14 09:00:58 by 雪狼790
    [Gaussian] 【求助】频率计算出错 (0/226) onion007 2009-07-14 2009-07-14 08:34:29 by onion007
    [版务] 【分享】热烈祝贺分子模拟资源存档子版成立！（发放金币中……）    ( 1 2 3 4 5 6 .. 7 ) (评阅+3) (66/1602) wuli8 2009-06-14 2009-07-13 19:45:24 by happyzyz
    [其他] 【求助成功】有没有人用GULP做MC模拟 (5/381) doudouding 2008-11-18 2009-07-13 15:30:29 by njn0516
    [其他] 【求助】求Demon NMR软件 (1/165) jjf_sxnu 2009-06-08 2009-07-13 14:43:41 by cathy-zhang7777
    [Gaussian] 【求助】关于过渡态优化 (7/733) xiao2008zhu 2009-07-09 2009-07-13 10:45:57 by poppyly
    [Gaussian] 【求助】4个非典型HOMO图 (9/714) csfn 2009-07-03 2009-07-13 09:57:54 by yjcmwgk
    [量化图形 ] 【求助】out文件用Gview打不开 (8/490) 03110205ch 2009-07-11 2009-07-12 17:12:29 by 03110205ch
    [Gaussian] 【讨论】关于int=ultrafine 的使用 (8/1259) sam1868 2009-07-11 2009-07-12 15:15:17 by Jasminer
    [Gaussian] 【求助】如何对不同原子采用不同基组，方法设置，请举例 (7/1881) CKX 2009-07-10 2009-07-12 10:08:01 by szmeng
    [Gaussian] 【求助】计算二茂铁类的分子用什么方法和基组合适？ (7/398) tiechong 2009-07-10 2009-07-12 10:02:23 by szmeng
    [Gaussian] 【求助】如何才能得到限定的优化结构（None H bond),谢谢！ (7/862) flyskysky 2009-07-09 2009-07-11 22:03:20 by flyskysky
    [量化图形 ] 【分享】gview3.09linux (评阅+3) (9/1172) 学员v1REDw 2008-12-24 2009-07-11 08:38:17 by vialink
    [Gaussian] 【求助】请帮我看看gif文件哪里出错了，为什么算不下去了 (6/847) flyskysky 2009-07-10 2009-07-11 07:29:26 by flyskysky
    [Gaussian] 【求助】开闭壳层与激发态的矛盾问题 (8/1490) huabangou 2009-07-08 2009-07-10 23:41:26 by beefly
    [Gaussian] 【求助】散尽金币，求着频率怎么做，谢谢 (2/432) peterman 2009-07-09 2009-07-10 23:39:32 by beefly
    [Gaussian] 【求助】如何从检查点文件chk继续执行计算或者挑选其中重要信息再计算 (0/169) CKX 2009-07-10 2009-07-10 21:58:02 by CKX
    [Gaussian] 【求助】如何选择闭壳层与开壳层？ (2/305) CKX 2009-07-10 2009-07-10 17:31:24 by 王中学
    [Gaussian] 【分享】Gaussian 09新增的功能 (评阅+5) (8/1814) poppyly 2009-07-09 2009-07-10 14:39:32 by poppyly
    [Gaussian] 【求助】自由基的HOMO和LUMO是否是同一个轨道 (5/877) yhl213 2009-07-09 2009-07-10 08:52:52 by dummy1
    [Gaussian] 【求助】IRC L9999 错误 (3/481) bents 2009-07-06 2009-07-10 00:05:26 by robertpeter2005
    [Gaussian] 单点能大小=分子的稳定性？ (5/853) tiechong 2009-07-09 2009-07-09 23:16:47 by beefly
    [其他] 【求助】怎样计算一个新物质的标准生成吉布斯自由能 (3/850) llong 2009-07-09 2009-07-09 21:54:04 by jjf_sxnu
    【求助】：大分子结构优化【chemoffice6.0 】    ( 1 2 ) (17/1314) JOJOFIY 2009-02-27 2009-07-09 17:57:35 by qzhaosdu
    [Gaussian] 【求助】O2分子的多重度问题 (5/730) yhl213 2009-07-09 2009-07-09 17:35:04 by lz830617
    [Gaussian] 【求助】分子内键能的计算 (0/232) gexiaojing 2009-07-09 2009-07-09 17:19:38 by gexiaojing
    [Gaussian] 【求助】分子筛46T模型 45 (2/163) longyun80 2009-07-02 2009-07-09 17:11:36 by 王中学
    [Gaussian] 【求助】Gaussian出错~求解决方法~ (8/1189) alexwpch 2009-07-09 2009-07-09 16:46:18 by yytsnake
    [Gaussian] 【求助】分子空间结构输出 (4/299) gexiaojing 2009-07-09 2009-07-09 15:03:27 by yytsnake
    [Gaussian] 【求助】协同配位作用的计算分析 (0/131) z6242948 2009-07-09 2009-07-09 11:34:58 by z6242948
    [Gaussian] 【求助】G03 QST2 RESTART (0/150) gongxd325 2009-07-09 2009-07-09 11:12:32 by gongxd325
    [Gaussian] 【求助】帮忙优化个分子 (6/471) Hewei 2009-06-01 2009-07-09 08:14:59 by lyp0801
    [其他] 【求助】[求助]基态激发态分子结构模拟 (1/240) mytopot 2009-07-01 2009-07-08 23:55:46 by mytopot
    [Gaussian] 【求助】请教root与Dipole moment 的对应 (6/656) yuxuan1976 2009-07-04 2009-07-08 23:54:11 by c111999
    [Gaussian] 【求助】从基态到激发态的难易程度 (2/569) tiechong 2009-07-02 2009-07-08 23:25:40 by mytopot
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