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[热点] 291分工科求调剂 science饿饿 2026-03-01 刚刚
[Gaussian] 用g03的TDDFT/6-31G* 算出来的第一激发态的激发能为负值 (4/987) pashanhu105 2011-08-02 2011-08-04 16:45:51 by zhou2009
[Gaussian] [已完结]怎么计算或者在哪可以查到有机染料的HOMO能级 (6/1097) melodycao 2011-07-30 2011-08-04 12:07:11 by meteoric30
[Gaussian] [已完结]弥散和极化基组的选择 (3/2349) starry99 2011-08-02 2011-08-04 01:28:14 by mchen10
[Gaussian] [已完结]单电子转移（SET）过渡态计算 (0/1315) JAC 2011-08-03 2011-08-03 13:24:12 by JAC
[Gaussian] [已完结][关贴]微扰分子轨道近似计算自由基 (0/206) kathy2008 2011-08-03 2011-08-03 09:03:08 by kathy2008
[Gaussian] 【求助】输出文件挂在402，请高手指点 (5/752) kathy2008 2010-11-13 2011-08-02 13:47:27 by 天下枫叶
[Gaussian] [已完结]高斯错误求助 (0/161) qihuang 2011-08-01 2011-08-01 21:48:17 by qihuang
[Gaussian] [已完结]NAO原子轨道能量大小 (5/1567) 亍寞 2011-07-31 2011-08-01 21:24:39 by 亍寞
[Gaussian] 【求助】求一个32位的linux版的gaussian03安装程序 (2/674) 倚天舰 2011-03-12 2011-08-01 12:50:43 by fengbao123
[Gaussian] [已完结]求助β-环糊精在GaussView中的结构 (3/2366) 低调先生 2011-07-30 2011-08-01 00:03:12 by 低调先生
[Gaussian] 【求助】PM3优化的基础上采用6-31G*算单点能得到的结果与PM3下算得的大小次序不一致    ( 1 2 ) (15/1683) saradzj 2010-07-29 2011-07-31 22:52:40 by 天下枫叶
[Gaussian] 【求助】PM3优化出错：Incomplete coordinate system. (6/1132) panwenxiao 2010-11-13 2011-07-31 22:50:51 by 天下枫叶
[Gaussian] [已完结]频率优化求助 (3/475) 锋线杀手 2011-07-26 2011-07-31 17:56:52 by 锋线杀手
[Gaussian] [已完结]高斯学习方法 (6/897) a719053855 2011-07-23 2011-07-31 16:25:51 by a719053855
[Gaussian] [已完结]内存如何设置最好 (8/1207) forestwolf9291 2011-07-30 2011-07-31 14:10:54 by fatpig8832
[Gaussian] 【求助】C70和C84分子结构 (5/1336) zhanghongsen 2011-03-27 2011-07-31 14:03:54 by zhanghongsen
[Gaussian] [已完结]量化计算文献里面的漂亮分子结构图是用什么软件画的？ (2/536) 20928140 2011-07-30 2011-07-31 10:07:59 by 20928140
[Gaussian] [已完结]反应通道ZPE校准异常 (6/924) zhengpc3505 2011-07-07 2011-07-31 09:33:27 by charityqi
[Gaussian] [已完结]过渡态求助 (1/331) 锋线杀手 2011-07-27 2011-07-30 20:32:39 by 独孤狼
[Gaussian] [已完结]SAPO-34 优化 (0/195) rock0927 2011-07-30 2011-07-30 17:01:30 by rock0927
[Gaussian] 实验室去年买的g03软件，能免费升级到g09吗？ (10/1324) xcyqyz5233 2011-07-26 2011-07-30 13:26:57 by 小红豆
[Gaussian] [已完结]charge distribution中，颜色问题。 (1/1153) simonfm 2011-07-26 2011-07-30 11:57:01 by forestwolf9291
[Gaussian] [已完结]求助能隙 (0/150) ss4007 2011-07-27 2011-07-27 09:19:37 by ss4007
[Gaussian] 【求助】化学反应的能垒问题 (6/1950) 569480531 2010-10-12 2011-07-26 22:34:09 by agent99
[Gaussian] [已完结]如何固定原子于同一平面 (1/946) rock0927 2011-07-22 2011-07-26 22:25:36 by rock0927
[Gaussian] [关贴]Gaussian模拟 (0/236) 天下枫叶 2011-07-26 2011-07-26 18:56:16 by 天下枫叶
[Gaussian] 表示charge density颜色的选择！ (2/370) simonfm 2011-07-26 2011-07-26 18:31:47 by simonfm
[Gaussian] 【求助】关于计算分子能垒的问题 (2/553) smartly 2011-01-12 2011-07-26 16:14:34 by 20928140
[Gaussian] 【求助】gaussian的BOMD有人用过吗？ (2/814) ikea1984 2011-01-19 2011-07-26 15:52:05 by zhou2009
[Gaussian] [已完结]如何用Gaussian算或者显示p-pi共轭作用    ( 1 2 ) (QC强帖+1)(12/3081) jianqin 2011-07-07 2011-07-25 22:20:53 by jianqin
[Gaussian] [已完结]高斯计算激发态并行问题 (6/1959) gujing136 2011-07-25 2011-07-25 18:15:37 by gujing136
[Gaussian] [已完结]大家给推荐一下计算金属配合物或者有机物发光的牛人 (0/255) 醒目苹果倪1707 2011-07-25 2011-07-25 17:32:51 by 醒目苹果倪1707
[Gaussian] [已完结]Gaussian内坐标优化出错 (1/580) stjdrw 2011-07-25 2011-07-25 13:42:25 by fatpig8832
[Gaussian] 【求助】高斯优化结构出错 (3/1021) niuwenyu86 2010-12-20 2011-07-24 19:39:38 by tianlihua田
[Gaussian] 请高手看一下这个机器配置，用高斯计算怎么样？还请提出建议 (6/2288) sdtar0502 2011-07-22 2011-07-24 17:04:30 by hairan
[Gaussian] [已完结]高斯报错信息 L602 和L9999 (1/1299) huanghl2010 2011-07-23 2011-07-24 10:09:15 by zhangmt
[Gaussian] 用高斯跑IRC是不是不太理想？ (0/915) xuefangyu09 2011-07-23 2011-07-23 15:08:43 by xuefangyu09
[Gaussian] 【求助】怎么输入G3B3//B3LYP/6-311++G(3df,3pd) (8/2088) lb1586551 2010-09-15 2011-07-23 14:34:32 by hairan
[Gaussian] [已完结]高斯dielectric (7/657) 不喜欢豆芽 2011-07-20 2011-07-23 10:35:10 by 不喜欢豆芽
[Gaussian] [已完结]gaussian 算电荷的时候能固定H的电荷为零吗？ (4/784) xiaoyingw 2011-07-22 2011-07-23 10:21:17 by zhangmt
[Gaussian] 关于激发态的几何优化及轨道组分的疑惑 (1/404) zhficcas 2011-07-22 2011-07-23 08:24:12 by abbott
[Gaussian] [已完结]哪位前辈帮忙下载一篇BCSJ的文献吧 (0/478) phoenixydp 2011-07-22 2011-07-22 22:30:03 by phoenixydp
[Gaussian] 水合小分子团簇 (2/667) yongqzhou 2011-07-15 2011-07-22 16:43:36 by sharkey.XU
[Gaussian] m062x全称？ (1/1594) 刘志凌 2011-07-22 2011-07-22 15:16:40 by zhangmt
[Gaussian] 郁闷 同样的方法 同样的高斯软件 同样的键长键角 我怎么算不对老出错 (0/624) maowenxue 2011-07-22 2011-07-22 13:06:55 by maowenxue
[Gaussian] [已完结]过渡态的寻找 (4/1009) dogone 2011-07-19 2011-07-22 11:24:15 by 遥远的树
[Gaussian] 这是个什么故事，貌似有点意思～ (11/1090) sprinaiv 2011-07-21 2011-07-22 10:29:14 by sprinaiv
[Gaussian] [已完结]cubegen 的关键字ShieldingDensity 求解释 (1/300) 043114076 2011-07-21 2011-07-22 08:54:00 by 043114076
[Gaussian] [已完结]溶剂效应 (6/755) wangyudany 2011-06-27 2011-07-21 22:23:53 by bay__gulf
[Gaussian] [已完结]如何用gaussian计算分子或者离子片段的范德华体积和表面积 (0/1330) 睿娇 2011-07-21 2011-07-21 21:03:19 by 睿娇
[Gaussian] [已完结]优化    ( 1 2 ) (10/922) rock0927 2011-07-15 2011-07-21 20:47:38 by ice625
[Gaussian] [已完结]优化过程中构型变化 (0/223) wangxp-200806 2011-07-21 2011-07-21 20:42:33 by wangxp-200806
[Gaussian] [已完结]开壳层的HOMO-LUMO gap 到底是哪两个相减啊？求高手指点 (5/2506) 伟明 2011-06-24 2011-07-21 15:53:21 by 烦躁的蚂蚁
[Gaussian] [已完结]为什么我的gaussian文件计算最终都是非正常结束，而且没有gibbs自由能这一项。 (5/1147) il701 2011-07-20 2011-07-21 15:45:53 by pwzhou
[Gaussian] [已完结]高斯 运行过程中死机 如何恢复计算？ (0/563) mountwar 2011-07-21 2011-07-21 10:02:56 by mountwar
[Gaussian] [已完结]在linux上用高斯优化构型L1出错，求助解决办法 (1/920) smyh 2011-07-20 2011-07-21 09:34:24 by zhangmt
[Gaussian] [已完结]请教初始结构优化问题    ( 1 2 ) (10/1752) 游子8921 2011-07-18 2011-07-20 21:55:35 by 游子8921
[Gaussian] [已完结]nbo报错 A bond orbital with an occupancy of 2.14715 electrons was found (2/1152) boylc789 2011-05-30 2011-07-20 15:06:17 by boylc789
[Gaussian] [已完结]高斯计算过程中遇到的问题 (8/1003) wangyudany 2011-07-20 2011-07-20 11:17:16 by 涂易
[Gaussian] [已完结]如何求分子动力学直径 (0/812) minifish 2011-07-20 2011-07-20 10:59:48 by minifish
[Gaussian] 【求助】dielectric=val 此关键词谁用过？ (1/346) chemlilyzhao 2010-08-25 2011-07-20 10:57:39 by 不喜欢豆芽
[Gaussian] [已完结][关贴]超极化率计算软件？ (1/547) ikea1984 2011-07-20 2011-07-20 10:31:26 by ben_ladeng
[Gaussian] [已完结]求助： chk 转化为 fchk 出错 (4/2106) chuchu6816 2011-07-18 2011-07-20 10:00:17 by hairan
[Gaussian] gaussian (1/301) zhufayan 2011-07-19 2011-07-19 17:08:46 by yongma2008
[Gaussian] [已完结]求助 (1/433) maddjdld 2011-07-18 2011-07-19 17:08:07 by yongma2008
[Gaussian] [已完结]有机非基元反应的过渡态计算如何确定中间体的个数和结构？ (4/1344) jdztcxy 2011-07-17 2011-07-19 09:38:19 by jdztcxy
[Gaussian] [已完结]请教Atoms too close错误 (8/3391) cj4566 2011-07-14 2011-07-19 09:18:24 by 游子8921
[Gaussian] [已完结]优化CF3S一价正电荷的构型算能量，9999错误 (4/751) wangxp-200806 2011-07-14 2011-07-19 08:18:57 by wangxp-200806
[Gaussian] gaussian提交文件 (2/280) zhufayan 2011-07-18 2011-07-18 21:34:27 by eshaozhang
[Gaussian] [已完结][关贴]求磷钨酸钠的结构 (1/399) 九仙居士 2011-07-12 2011-07-18 19:13:24 by 九仙居士
[Gaussian] [已完结]Gaussian进行含频极化率计算的问题 (1/418) achuner 2011-07-18 2011-07-18 16:34:56 by 小红豆
[Gaussian] [已完结]水相条件下BSSE (0/374) zoumingying 2011-07-18 2011-07-18 16:33:45 by zoumingying
[Gaussian] [已完结]G03 运算暂停后 被重启了 该如何继续我的运算呢    ( 1 2 ) (金币≥2)(14/103) willcy722 2011-05-18 2011-07-18 15:02:39 by 涂易
[Gaussian] [已完结]氢键与静电力（急~~）    ( 1 2 ) (17/2647) chemistryxrw 2011-07-15 2011-07-18 11:11:32 by yongleli
[Gaussian] gaussian提交文件 (1/266) zhufayan 2011-07-18 2011-07-18 09:16:27 by bingdieduwu
[Gaussian] [已完结]求助赝势基组的问题 (9/1903) zyr3365754 2011-06-24 2011-07-17 12:45:37 by zhangmt
[Gaussian] [已完结]请教一个IRC每一步结构的能量问题 (2/297) wcszbd2008 2011-07-15 2011-07-17 10:15:45 by wcszbd2008
[Gaussian] [已完结][关贴]高斯09程序 (4/610) wanfei 2011-06-29 2011-07-17 09:39:48 by wanfei
[Gaussian] [已完结]适合量子化学的杂志（IF>2） (7/1145) kekemi_1127 2011-07-16 2011-07-17 08:56:46 by wzwanglab
[Gaussian] [已完结]关于溶剂模型 (0/721) Captain-Jack 2011-07-16 2011-07-16 08:28:49 by Captain-Jack
[Gaussian] [已完结]gaussian计算溶剂化效应出错 (2/1200) liuzhengjun0427 2011-07-15 2011-07-15 20:40:26 by zhangmt
[Gaussian] gaussiangaussian中如何设置BBSE校正 (3/1849) zhufayan 2011-07-14 2011-07-15 16:10:44 by wuy069
[Gaussian] [已完结]菜鸟求助 (3/266) 幽田双净 2011-07-15 2011-07-15 15:02:28 by zhangmt
[Gaussian] 【求助】优化：怎样找到一个两个分子之间的相对位置 (26/3074) daiyulan85 2011-03-26 2011-07-15 12:03:17 by 天下枫叶
[Gaussian] [已完结]请问Si9H13OH团族可以模拟SiO2基底吗 (0/164) wsyfenglang 2011-07-15 2011-07-15 08:24:22 by wsyfenglang
[Gaussian] 关于过渡态与过渡结构 (3/1403) xiaozufeng 2011-07-14 2011-07-14 20:53:18 by zhangmt
[Gaussian] 【求助】怎么强行将4个原子固定在一个面上？ (6/1198) 3867826 2011-01-23 2011-07-14 20:37:03 by zhangmt
[Gaussian] [已完结]N2O+的基态X，激发态A，B，C势能曲线计算（Rn2--O/Rn--no） (2/331) pfeng 2011-07-14 2011-07-14 16:31:50 by pfeng
[Gaussian] [已完结]如何用高斯计算能隙？ (0/1282) 马莉李倩 2011-07-14 2011-07-14 14:00:32 by 马莉李倩
[Gaussian] [已完结]b3lyp低估问题 (3/430) 亍寞 2011-07-12 2011-07-13 19:21:06 by 亍寞
[Gaussian] [已完结]如何利用刚性扫描改变复合物的构型 (9/1192) vigaryang 2011-07-10 2011-07-13 18:20:36 by 锋线杀手
[Gaussian] [已完结]求助-怎么做同位素取代、 (1/662) liudiwen 2011-07-13 2011-07-13 13:26:37 by zhangmt
[Gaussian] [已完结]求助：关于二聚体的单点能 (7/749) flowers123 2011-07-11 2011-07-13 10:34:25 by flowers123
[Gaussian] [已完结]高斯求助 (5/369) 717414324 2011-07-12 2011-07-12 20:54:49 by zhangmt
[Gaussian] [已完结]如何解析优化不到的中间体 (2/261) aimonkey 2011-07-12 2011-07-12 20:45:29 by aimonkey
[Gaussian] [已完结]急盼虫子帮助解决：ONIOM找过渡态103出错，谢谢 (5/1285) sxguoch 2011-06-24 2011-07-12 20:18:57 by lm214019
[Gaussian] [已完结]L914错误怎么解决 (0/1861) blueybz 2011-07-12 2011-07-12 18:31:06 by blueybz
[Gaussian] [已完结]溶剂中过渡态查找 (6/1211) rulongxu 2011-07-12 2011-07-12 15:25:41 by rulongxu
[Gaussian] [已完结]gaussian计算输出结果 (3/787) herarysara 2011-07-12 2011-07-12 11:56:07 by herarysara
[Gaussian] [已完结]gaussian计算问题 (0/226) 幽田双净 2011-07-12 2011-07-12 10:54:32 by 幽田双净
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