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[热点] 刚录用，没有期刊号，但是在线可看的论文可以放为代表作吗 arang1 2026-03-01 刚刚
[Gaussian] 【求助】请问Gauss频率计算给出的四个能量值的温度 (3/539) kaluoyi2008 2010-05-03 2010-05-03 17:25:50 by wang0912302
[Gaussian] 【讨论】关于BSSE计算 (评阅+1) (5/836) iacwj03 2010-05-02 2010-05-03 16:45:32 by iacwj03
[Gaussian] 【求助】同样的模型，ONIOM方法计算，低层分别用HF/3-21G和UFF算出来的结果相差极大 (5/1181) pottery1314 2010-04-27 2010-05-03 14:52:20 by sobereva
[Gaussian] 【求助】IRC计算出错 (2/542) 569480531 2010-04-30 2010-05-03 14:42:08 by 569480531
[Gaussian] 【求助】MP2计算单点能不收敛怎么办？ (4/1731) S07111072 2009-05-13 2010-05-03 13:24:48 by caoyiyang
[Gaussian] [求助]【MP2如何有效消除自旋污染】 (评阅-2) (9/1256) spring965 2010-04-20 2010-05-03 13:18:29 by caoyiyang
[Gaussian] 【讨论】关于赝势基组 (6/1654) iacwj03 2010-04-21 2010-05-02 20:24:19 by lihong7lin
[Gaussian] 【讨论】最高占据轨道HOMO是正值正常吗 (6/1419) sunday6392 2010-04-30 2010-05-02 11:59:30 by sunday6392
[Gaussian] 【求助】柔性扫描link9999错误 (4/977) penghcp 2010-05-02 2010-05-02 10:09:44 by penghcp
[Gaussian] 【求助】Gaussian运行问题 Binary not Executable (2/492) gongxd325 2010-04-30 2010-05-01 10:26:33 by sandycug
[Gaussian] 【求助】分子构型 (4/696) nanjinger 2010-04-30 2010-04-30 23:41:03 by wang0912302
[Gaussian] 【求助】请教大家mp2和mp2(full)的问题    ( 1 2 ) (10/1345) qzhaosdu 2010-04-28 2010-04-30 22:38:55 by yjcmwgk
[Gaussian] 【求助】Write error in NtrExt1 (5/553) leo1252 2010-04-25 2010-04-30 22:24:04 by leo1252
[Gaussian] 【求助】二价钯离子络合物的自旋度？ (3/855) lihong7lin 2010-04-30 2010-04-30 21:00:00 by yjcmwgk
[Gaussian] 【求助】看不懂这个分子轨道 (5/888) snoopyzhao 2010-04-29 2010-04-30 15:26:06 by snoopyzhao
[Gaussian] 【求助】SAC-CI计算最后出错 (4/449) springxa 2010-04-29 2010-04-30 11:16:13 by springxa
[Gaussian] 【求助成功】求：轨道成分分析 (4/1019) luxi_bg 2010-04-29 2010-04-30 11:10:02 by yjcmwgk
[Gaussian] 【求助】异构化 (0/247) nanjinger 2010-04-30 2010-04-30 11:03:12 by nanjinger
[Gaussian] 【讨论】求助高手帮看下Gaussian计算结果 (3/497) 80271448 2010-04-29 2010-04-30 08:54:11 by 王中学
[Gaussian] 【求助】请问高斯可不可以计算Rydberg态 (6/847) exabyss916 2010-04-28 2010-04-30 08:46:54 by exabyss916
[Gaussian] 【求助】Guassian 计算求助 (6/1401) shontao 2010-04-21 2010-04-29 22:34:00 by kekexiliwolf
[Gaussian] 【求助】高斯计算出错请求帮助 (0/539) cynthia411 2010-04-29 2010-04-29 21:15:47 by cynthia411
[Gaussian] 【求助】这种能量计算报错是怎么回事? (2/982) Hansongtao 2010-04-29 2010-04-29 17:08:28 by kekemi_1127
[Gaussian] 【求助】高斯出错请教 (5/574) ww1987 2010-04-29 2010-04-29 17:02:26 by kekemi_1127
[Gaussian] 【讨论】怎样用高斯计算物质的pka    ( 1 2 ) (10/3736) penghcp 2010-04-27 2010-04-29 13:24:24 by yjcmwgk
[Gaussian] 【求助】gaussian 计算带负电模型 (1/329) agou8888 2010-04-29 2010-04-29 13:12:48 by ggdh
[Gaussian] 【求助】找aldol反应的过渡态 (2/444) fawnpku 2010-04-25 2010-04-29 12:57:13 by LuPeng5366
[Gaussian] 【求助】GAUSSIAN EO1(win)版本的并行问题    ( 1 2 ) (13/1500) yanmingsun18 2010-03-16 2010-04-29 10:57:20 by 小虫迷
[Gaussian] 已解决，谢谢：含钯络合物高斯计算条件 (4/849) lihong7lin 2010-04-20 2010-04-29 04:36:50 by fooo
[Gaussian] 【讨论】DFT方法属不属于从头算？    ( 1 2 ) (13/3829) gaoyp0114 2010-04-26 2010-04-28 16:45:55 by dragonli
[Gaussian] 【求助】关于scan    ( 1 2 ) (10/1345) mikesnow 2010-04-21 2010-04-28 16:29:06 by dragonli
[Gaussian] 【求助】阴离子电荷补偿方法 (0/346) agou8888 2010-04-28 2010-04-28 15:49:41 by agou8888
[Gaussian] 【求助】请问这是什么错误，应该怎么办呢 (0/602) lislll 2010-04-28 2010-04-28 15:09:02 by lislll
[Gaussian] 【求助】Unable to project occupied orbitals ! (1/3201) 569480531 2010-04-26 2010-04-28 13:56:15 by 569480531
[Gaussian] 【求助】如何用gaussian view画出单糖椅式构像的直立键和平伏键? (0/385) Hansongtao 2010-04-28 2010-04-28 10:46:30 by Hansongtao
[Gaussian] 【求助】如何输入文件的坐标中设出单糖椅式构像的直立键和平伏键？ (1/405) Hansongtao 2010-04-28 2010-04-28 09:56:30 by heyo_123
[Gaussian] 【求助】高斯能不能模拟有机分子与矿物晶面的作用呢？ (金币≥1)(4/47) 端木青 2010-04-26 2010-04-28 09:44:24 by 王中学
[Gaussian] 【求助】静电势 (2/388) 15200505003 2010-04-27 2010-04-28 09:39:12 by 王中学
[Gaussian] 【求助】氧化还原电势怎么计算 (2/2293) lfengxia82 2010-04-26 2010-04-28 00:24:02 by galaxyqtm
[Gaussian] 【讨论】同一种方法，不同基组，算出的结果差别很大 (1/472) tiechong 2010-04-27 2010-04-27 22:44:47 by recoli
[Gaussian] 【求助】请问ADF中BP86泛函在计算过渡金属时有什么不足？ (0/383) YYTDD1124 2010-04-27 2010-04-27 20:34:58 by YYTDD1124
[Gaussian] 【求助】IRC完成后对前后两个结构点进行优化时，遇到这样的问题怎么办 (0/379) gnli 2010-04-27 2010-04-27 16:33:51 by gnli
[Gaussian] 【求助】关于双cpu8核计算机运行gaussian的设置问题。    ( 1 2 ) (18/2430) zzhenry 2009-05-09 2010-04-27 15:18:50 by 小虫迷
[Gaussian] 【求助】linux系统下gaussian计算 (1/426) sunlong650 2010-04-27 2010-04-27 09:22:53 by 王中学
[Gaussian] 【求助】用ONIOM的大侠请进 (1/301) sunzhiguo 2010-04-08 2010-04-26 22:19:26 by ZCY2009
[Gaussian] 【求助】torbmole问题 (1/360) zzl7337 2010-04-21 2010-04-26 18:58:44 by pwzhou
[Gaussian] 【求助】求助一个非常基本的问题 (1/293) 丛中笑 2010-04-26 2010-04-26 16:32:35 by pwzhou
[Gaussian] 【求助】如何打开Gaussian Z -matrix format的文件 (4/656) 天下为公5592 2010-04-26 2010-04-26 12:08:01 by viger87
[Gaussian] 【求助】scan求助 (8/1004) kekexiliwolf 2010-04-25 2010-04-26 09:43:36 by lightme36
[Gaussian] 【求助】chk 文件转换 (4/1316) caozf 2010-04-21 2010-04-25 22:01:19 by yjcmwgk
[Gaussian] 【原创】ylmf-os(ubuntu9.10)gaussian03c02 & gaussview3.09 (2/372) 吴大为 2010-04-24 2010-04-25 19:04:43 by heyo_123
[Gaussian] 【讨论】初始构象对优化结果的影响 (8/731) kekexiliwolf 2010-04-21 2010-04-25 17:21:24 by kekexiliwolf
[Gaussian] 【求助】VEA垂直电子亲和势    ( 1 2 ) (10/1471) zhaoxia2501 2010-04-23 2010-04-24 21:49:34 by zhaoxia2501
[Gaussian] 【求助】计算正常么 (8/743) lihong7lin 2010-04-23 2010-04-24 14:28:03 by 3867826
[Gaussian] 【求助】HOMO和LUMO值是读取绝对值吗？ (4/2022) yiren86 2010-04-22 2010-04-23 22:04:58 by yiren86
[Gaussian] 【求助】关于躬等重金属的计算 (2/285) sunlong650 2010-04-23 2010-04-23 21:16:19 by zhangmt
[Gaussian] 【求助】在集群中用gaussian要做那些设置？？？ (5/920) heyo_123 2010-03-31 2010-04-23 21:01:55 by bluewhale
[Gaussian] 【讨论】热力学动力学数据是如何得到的 (2/355) cxc521 2010-04-23 2010-04-23 17:16:56 by cxc521
[Gaussian] 【求助】No pseudopotential on this center (2/2327) lihong7lin 2010-04-23 2010-04-23 13:08:15 by lihong7lin
[Gaussian] 【求助】键能的分解 (5/1052) yjcmwgk 2010-04-22 2010-04-23 04:11:45 by fooo
[Gaussian] 【求助】请教关于溶质与溶剂分子间的静电作用能的问题？ (2/618) huilaoshu999 2010-04-22 2010-04-22 23:26:52 by zhangmt
[Gaussian] 【求助】cube关键词 (1/400) 15200505003 2010-04-22 2010-04-22 16:34:37 by zhou2009
[Gaussian] 【求助】Linux中高斯出问题 (1/605) yijianglan 2010-04-20 2010-04-22 14:20:56 by yijianglan
[Gaussian] 【求助】linux 计算因停电导致的问题 (4/792) shaojp808 2010-04-21 2010-04-22 13:14:10 by shaojp808
[Gaussian] [关贴]【求助】NICS 计算 (0/857) wcz2008 2010-04-18 2010-04-18 13:46:45 by wcz2008
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