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[热点] 2024 - Donor Acceptor Cyclopropanes in Organic Synthesis asymmsyn 2026-02-08 刚刚
[Gaussian] [已完结]怎么计算或者在哪可以查到有机染料的HOMO能级 (6/1071) 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 (3/2331) 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 (0/1310) 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 (0/204) 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 (5/718) 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 (0/159) 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 (5/1547) 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 (2/671) 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 (3/2348) 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 ) (15/1639) 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. (6/1115) 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 (3/471) 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 (6/885) a719053855 2011-07-23 2011-07-31 16:25:51 by a719053855
[Gaussian] [已完结]内存如何设置最好 (8/1187) forestwolf9291 2011-07-30 2011-07-31 14:10:54 by fatpig8832
[Gaussian] 【求助】C70和C84分子结构 (5/1303) 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？ (2/524) 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 (6/904) zhengpc3505 2011-07-07 2011-07-31 09:33:27 by charityqi
[Gaussian] [已完结]过渡态求助 (1/323) 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 (0/193) 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？ (10/1314) 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。 (1/1140) simonfm 2011-07-26 2011-07-30 11:57:01 by forestwolf9291
[Gaussian] [已完结]求助能隙 (0/147) ss4007 2011-07-27 2011-07-27 09:19:37 by ss4007
[Gaussian] 【求助】化学反应的能垒问题 (6/1924) 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 (1/935) rock0927 2011-07-22 2011-07-26 22:25:36 by rock0927
[Gaussian] [关贴]Gaussian模拟 (0/228) 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！ (2/361) 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 (2/547) smartly 2011-01-12 2011-07-26 16:14:34 by 20928140
[Gaussian] 【求助】gaussian的BOMD有人用过吗？ (2/805) 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)(12/3018) 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 (6/1923) 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 (0/253) 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 (1/570) stjdrw 2011-07-25 2011-07-25 13:42:25 by fatpig8832
[Gaussian] 【求助】高斯优化结构出错 (3/1005) 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 (6/2251) 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 (1/1293) 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？ (0/905) 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) (8/2070) lb1586551 2010-09-15 2011-07-23 14:34:32 by hairan
[Gaussian] [已完结]高斯dielectric (7/639) 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？ (4/765) 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 (1/399) 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 (0/475) phoenixydp 2011-07-22 2011-07-22 22:30:03 by phoenixydp
[Gaussian] 水合小分子团簇 (2/647) yongqzhou 2011-07-15 2011-07-22 16:43:36 by sharkey.XU
[Gaussian] m062x全称？ (1/1586) 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 (0/614) maowenxue 2011-07-22 2011-07-22 13:06:55 by maowenxue
[Gaussian] [已完结]过渡态的寻找 (4/1000) 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～ (11/1043) 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 (1/293) 043114076 2011-07-21 2011-07-22 08:54:00 by 043114076
[Gaussian] [已完结]溶剂效应 (6/732) 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 (0/1320) 睿娇 2011-07-21 2011-07-21 21:03:19 by 睿娇
[Gaussian] [已完结]优化    ( 1 2 ) (10/906) 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 (0/221) 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 (5/2479) 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。 (5/1121) 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？ (0/560) 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 (1/909) 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 ) (10/1724) 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 (2/1142) 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 (8/995) 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 (0/810) minifish 2011-07-20 2011-07-20 10:59:48 by minifish
[Gaussian] 【求助】dielectric=val 此关键词谁用过？ (1/336) 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？ (1/540) 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 (4/2080) chuchu6816 2011-07-18 2011-07-20 10:00:17 by hairan
[Gaussian] gaussian (1/293) zhufayan 2011-07-19 2011-07-19 17:08:46 by yongma2008
[Gaussian] [已完结]求助 (1/428) 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？ (4/1309) jdztcxy 2011-07-17 2011-07-19 09:38:19 by jdztcxy
[Gaussian] [已完结]请教Atoms too close错误 (8/3357) 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 (4/739) wangxp-200806 2011-07-14 2011-07-19 08:18:57 by wangxp-200806
[Gaussian] gaussian提交文件 (2/272) 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 (1/396) 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 (1/412) achuner 2011-07-18 2011-07-18 16:34:56 by 小红豆
[Gaussian] [已完结]水相条件下BSSE (0/372) 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 ) (17/2619) chemistryxrw 2011-07-15 2011-07-18 11:11:32 by yongleli
[Gaussian] gaussian提交文件 (1/261) 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 (9/1831) 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 (2/288) wcszbd2008 2011-07-15 2011-07-17 10:15:45 by wcszbd2008
[Gaussian] [已完结][关贴]高斯09程序 (4/598) 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） (7/1119) kekemi_1127 2011-07-16 2011-07-17 08:56:46 by wzwanglab
[Gaussian] [已完结]关于溶剂模型 (0/708) 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 (2/1189) liuzhengjun0427 2011-07-15 2011-07-15 20:40:26 by zhangmt
[Gaussian] gaussiangaussian中如何设置BBSE校正 (3/1828) zhufayan 2011-07-14 2011-07-15 16:10:44 by wuy069
[Gaussian] [已完结]菜鸟求助 (3/261) 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 (26/3002) 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 (0/161) wsyfenglang 2011-07-15 2011-07-15 08:24:22 by wsyfenglang
[Gaussian] 关于过渡态与过渡结构 (3/1347) 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？ (6/1177) 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） (2/321) 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？ (0/1280) 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 (3/425) 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 (9/1171) 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、 (1/657) 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 (7/726) flowers123 2011-07-11 2011-07-13 10:34:25 by flowers123
[Gaussian] [已完结]高斯求助 (5/348) 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 (2/255) 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 (5/1276) sxguoch 2011-06-24 2011-07-12 20:18:57 by lm214019
[Gaussian] [已完结]L914错误怎么解决 (0/1854) blueybz 2011-07-12 2011-07-12 18:31:06 by blueybz
[Gaussian] [已完结]溶剂中过渡态查找 (6/1182) rulongxu 2011-07-12 2011-07-12 15:25:41 by rulongxu
[Gaussian] [已完结]gaussian计算输出结果 (3/779) herarysara 2011-07-12 2011-07-12 11:56:07 by herarysara
[Gaussian] [已完结]gaussian计算问题 (0/224) 幽田双净 2011-07-12 2011-07-12 10:54:32 by 幽田双净
[Gaussian] [已完结]羟基进攻化合物的IRC分析 出错    ( 1 2 ) (10/1206) 21018060 2011-07-08 2011-07-12 10:51:39 by 15064003012
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