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[热点] CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优 雨念 2026-02-07 刚刚
[Gaussian] [已完结]Gaussian算Ga原子 (4/586) wangsihang 2013-06-16 2013-06-19 14:03:43 by maxwell妖
[Gaussian] 哈勃循环和盖斯定律 (2/849) 111222000 2013-06-19 2013-06-19 13:43:21 by 111222000
[Gaussian] [已完结]求CL-20的Gaussian的结构输入文件 (6/592) gcz952849979 2013-06-17 2013-06-19 12:37:33 by stalart
[Gaussian] [已完结]求大神指教，DK-MP2/ANO-RCC-VTZP怎么实现? (2/683) jiephoebe 2013-06-18 2013-06-19 10:30:32 by jiephoebe
[Gaussian] 【求助】我想问下在考虑溶剂化效应的条件下， 计算吸收谱时出现801错误怎么改 (4/1149) sunning781 2010-10-15 2013-06-19 08:32:35 by xionger
[Gaussian] [已完结]错误修改 (3/929) 陌上小筑 2013-06-03 2013-06-18 17:00:17 by marson
[Gaussian] d轨道对应的数值 (4/1763) sujialing 2013-06-14 2013-06-18 09:42:58 by sujialing
[Gaussian] [已完结][关贴]计算不同酯键的键能，如果会的，可以私下交流。 (9/1433) xuan5501 2013-06-06 2013-06-18 02:46:39 by xuan5501
[Gaussian] [已完结]R----TS1-----P-----TS2-------P2 (4/1346) wangsihang 2013-06-15 2013-06-17 20:11:04 by wangsihang
[Gaussian] [已完结]反应机理 (1/332) weilikang 2013-06-17 2013-06-17 19:56:42 by dreamer314
[Gaussian] [已完结]急！怎样用OVGF算垂直电离能 (4/1214) ljxzhq88 2013-06-17 2013-06-17 19:55:29 by sobereva
[Gaussian] [已完结]关于H2和CO生成甲醛的反应络合物优化构型的计算 (4/1700) bruce108 2013-06-15 2013-06-17 17:12:59 by peakwang
[Gaussian] [已完结]4-甲基联苯、甲苯、联苯对位电子密度比较 (3/1092) lizy715 2013-06-17 2013-06-17 16:15:05 by lizy715
[Gaussian] [已完结]为什么束缚能随着聚合度增加而减少？在线等 (1/324) cjjdaisy 2013-05-31 2013-06-17 10:59:02 by PollyGao
[Gaussian] [已完结]MP2单点硬盘不够（基组选取）～～ (5/824) z5476t4508 2011-11-30 2013-06-17 09:40:28 by hairan
[Gaussian] [已完结]高斯TD算紫外，总是终止怎么回事？ (2/471) celine蔡 2013-06-15 2013-06-16 18:32:07 by celine蔡
[Gaussian] [已完结]906错误求助！！ (7/1245) 小窗夜梦 2013-06-15 2013-06-16 10:03:41 by 小窗夜梦
[Gaussian] [已完结]Warning!!: The largest alpha MO coefficient is 0.21983715D+02 (1/4374) 小窗夜梦 2013-06-14 2013-06-15 14:19:57 by yypcnbe
[Gaussian] [已完结]过渡态 输入 (9/879) B612 2013-06-12 2013-06-15 10:51:46 by marson
[Gaussian] [已完结]formchk转换chk后只得到文件大小为0的fchk，求解 (3/1349) lysincerely 2013-06-13 2013-06-15 09:27:37 by lysincerely
[Gaussian] 可否通过C13和N15的KIE来确定酶催化反应的决速步？ (28/1737) shengxiang 2013-06-11 2013-06-15 09:05:05 by 假大空
[Gaussian] [已完结]gaussview5.8 (1/463) 768805354 2013-06-14 2013-06-14 19:11:32 by beefly
[Gaussian] [已完结]高斯计算Link703报错 (9/2265) mmjjmmjj 2013-06-09 2013-06-14 12:46:26 by luckone2013
[Gaussian] [已完结]求Co(en)3+ lel3和ob3两分子结构，急急呐！！ (0/719) 小麦mavis 2013-06-13 2013-06-13 16:13:29 by 小麦mavis
[Gaussian] [关贴]使用赝势基组就不能计算HOMO-LUMO gap 吗？？ (22/1732) zyr3365754 2013-06-10 2013-06-13 13:17:25 by zyr3365754
[Gaussian] [已完结]关于紫外计算结果分析 (4/719) celine蔡 2013-06-10 2013-06-13 11:44:05 by celine蔡
[Gaussian] [已完结]求助 (1/326) 我是-化工 2013-06-12 2013-06-13 07:19:46 by liucg407
[Gaussian] [已完结]计算Al2F7- 离子的垂直分裂能 (5/587) luckone2013 2013-06-11 2013-06-12 23:09:48 by luckone2013
[Gaussian] [已完结]TD激发态计算跃迁轨道贡献超过100% (5/1091) cfk580713 2012-11-10 2013-06-12 16:25:43 by 左边_在左边
[Gaussian] 如何让Gaussian 强制打印轨道的对称性? (1/565) jbsxh 2013-06-11 2013-06-11 20:00:17 by gmy1990
[Gaussian] [已完结][关贴]急！急！急！计算出现错误。请指导 (2/1010) zyr3365754 2013-06-11 2013-06-11 12:45:53 by jliang8190
[Gaussian] [已完结]大家帮忙看看这个修改意见，谢谢！ (0/324) zyr3365754 2013-06-10 2013-06-10 12:24:20 by zyr3365754
[Gaussian] [已完结]ACS上投稿 (1/363) wangsihang 2013-06-10 2013-06-10 10:25:50 by stalart
[Gaussian] [已完结]请问用gaussianview怎么画纤维素结构 (7/1383) messimc 2013-06-09 2013-06-10 10:22:43 by stalart
[Gaussian] [已完结]关于NICS（核独立化学位移）zz值计算的问题 (6/2806) 一首琴歌 2013-06-04 2013-06-10 03:05:08 by 一首琴歌
[Gaussian] [已完结]CCSD(T) 114出错 请帮忙看看 (5/1733) Miracle922 2013-06-09 2013-06-09 21:21:55 by Miracle922
[Gaussian] 【求助】求高人指教 这个错误怎么改    ( 1 2 ) (11/2068) fanlitao20 2010-10-20 2013-06-09 10:09:34 by mmjjmmjj
[Gaussian] gauss 中 计算拉曼光谱是一级的吗？ (2/610) 春华秋实2020 2013-06-05 2013-06-09 07:56:56 by 春华秋实2020
[Gaussian] MP2的内存问题 (2/565) luckone2013 2013-06-06 2013-06-08 22:52:59 by luckone2013
[Gaussian] [已完结][关贴]高斯计算求助 (4/638) anmin0127 2013-06-08 2013-06-08 20:33:21 by anmin0127
[Gaussian] [已完结][关贴]高斯服务器求助 (0/471) anmin0127 2013-06-08 2013-06-08 19:05:55 by anmin0127
[Gaussian] [已完结][关贴]高斯学习求助 (2/401) 大雪微蓝 2013-06-06 2013-06-08 13:58:44 by 大雪微蓝
[Gaussian] [已完结]请问只装gaussview不装gaussian的话，有些功能不能用吗 (1/493) 学员bdjMK0 2013-06-07 2013-06-08 09:25:40 by klaus1987
[Gaussian] [已完结]International Journal of Quantum Chemistry 投稿问题 (3/1816) vikkihe 2013-06-07 2013-06-08 08:06:03 by stalart
[Gaussian] [已完结]高斯求助（急急急） (5/673) liushuang16 2013-06-06 2013-06-08 08:01:27 by liushuang16
[Gaussian] [已完结]MP2和CCSD(T)计算出错 (1/570) Miracle922 2013-06-07 2013-06-07 16:30:09 by marson
[Gaussian] [已完结][关贴]CPCM溶液模型怎么修改参数，输入文件怎么编写？ (4/556) wzc2007.co 2013-06-04 2013-06-07 12:03:32 by wzc2007.co
[Gaussian] [已完结]DFT出错 (3/509) 邵将洋 2013-05-29 2013-06-07 08:14:30 by stalart
[Gaussian] [已完结]如何修改gaussview中单双键距离的规定 (6/1516) wufengseu 2013-06-04 2013-06-06 18:46:06 by wufengseu
[Gaussian] [已完结]寻找过渡态，走IRC产物方向与反应物方向相反,如何寻找正确的过渡态？    ( 1 2 ) (11/3298) lingao 2013-05-25 2013-06-06 16:00:55 by wunan1989
[Gaussian] [已完结]Gaussian新手求助，关于过渡态，急！急！急！急！ (8/880) 三寨叶子 2013-06-03 2013-06-06 10:32:26 by 三寨叶子
[Gaussian] 我linux构型优化之后得到的chk文件，怎么转换为windows下能打开的文件？ (8/1722) szjfsjw 2013-06-04 2013-06-06 08:27:10 by szjfsjw
[Gaussian] gauss 中的framework group 与文献不一样？ (5/715) 春华秋实2020 2013-06-03 2013-06-06 07:38:14 by 春华秋实2020
[Gaussian] [已完结][关贴]混合基组计算求助 (2/669) anmin0127 2013-06-05 2013-06-06 01:34:38 by anmin0127
[Gaussian] [已完结]最低能量构象选择 (3/1014) fzliyang 2013-06-05 2013-06-06 00:05:44 by fzliyang
[Gaussian] [已完结][关贴]自定义基组，溶剂化报错 (1/840) zhangji3013 2013-06-05 2013-06-05 15:11:37 by zhangji3013
[Gaussian] [已完结]求助Gaussian09问题 (2/456) lingzg2007 2013-06-04 2013-06-05 14:56:30 by lingzg2007
[Gaussian] [专家] 在Gaussian09计算中考虑标量相对论和旋轨耦合 (9/2768) beefly 2012-10-06 2013-06-05 14:15:37 by 836449366
[Gaussian] [已完结]Hirshfeld charge analysis 用高斯03计算的关键词怎么写？ (0/1424) zxpersist 2013-06-05 2013-06-05 11:33:29 by zxpersist
[Gaussian] [已完结]求助：关于chem3d调用gaussian09 (4/3125) skeeterhuang 2013-06-04 2013-06-05 10:56:11 by skeeterhuang
[Gaussian] [已完结]高斯错误 (0/448) 李晓绒 2013-06-05 2013-06-05 09:18:04 by 李晓绒
[Gaussian] [已完结]为什么一个简单的锂的正离子用guass03的Mp2方法就内存不足    ( 1 2 ) (11/2244) 768805354 2013-05-30 2013-06-05 08:29:16 by hairan
[Gaussian] 计算阴离子分子的垂直分裂能，怎么保持分子构型不变？ (7/1312) luckone2013 2013-06-01 2013-06-05 07:55:50 by hairan
[Gaussian] [已完结]关于PCM的计算 (1/1662) kathy2008 2013-06-04 2013-06-04 23:41:14 by stalart
[Gaussian] [已完结]反应机理中研究形成和断裂的键有什么意义 (5/571) weilikang 2013-06-04 2013-06-04 23:33:14 by stalart
[Gaussian] 高斯优化收敛标准的问题 (2/1636) 111222000 2013-06-02 2013-06-04 22:10:25 by fzliyang
[Gaussian] [已完结]计算 (0/208) 李晓绒 2013-06-04 2013-06-04 09:44:46 by 李晓绒
[Gaussian] [已完结]高斯计算过渡态结果的虚频问题 (6/2892) peakwang 2013-05-28 2013-06-04 08:45:18 by dai_shen844
[Gaussian] [已完结]M06－02居然比B3LYP低估能垒？    ( 1 2 ) (12/1079) ryxiao 2013-05-30 2013-06-04 08:21:17 by schalke
[Gaussian] 离子opt (6/617) 黄金比例 2013-06-03 2013-06-03 22:10:32 by t13340033021
[Gaussian] [已完结]gaussian计算对化合物结构进行优化 (2/543) 依一YY 2013-06-01 2013-06-03 18:30:38 by lltyy
[Gaussian] [已完结]计算方法和基组 (2/600) 李晓绒 2013-06-03 2013-06-03 17:18:28 by 李晓绒
[Gaussian] [已完结]Eckart法计算tunneling correction (2/484) ryxiao 2013-06-03 2013-06-03 14:46:56 by ryxiao
[Gaussian] 用高斯计算垂直电离能和电子亲和能的方法 (11/7034) luckone2013 2013-05-31 2013-06-03 10:43:30 by kris4691
[Gaussian] 我对"什么是分子轨道"的回答对不 (18/1656) yeliya201 2013-05-29 2013-06-02 09:01:16 by yjcmwgk
[Gaussian] [已完结]如何分析NBO图 (4/909) cug_zhang 2012-03-10 2013-06-02 08:11:43 by wuming--007
[Gaussian] [已完结]求助：gaussian的计算完成后 utilities—External PDB Viewer时出问题 (0/599) hustreally 2013-06-01 2013-06-01 11:25:02 by hustreally
[Gaussian] [已完结]谁有关于Gaussian的资料 (1/337) 我是-化工 2013-05-31 2013-06-01 09:48:32 by gkf高
[Gaussian] [已完结]BSSE 用英语怎样描述其算法？ (1/275) juty136 2013-05-30 2013-05-31 18:14:09 by shobuu
[Gaussian] [已完结]Gaussian计算中的反应势能剖面图用什么软件做出呢？ (1/504) zhoulm338 2013-05-30 2013-05-31 08:06:03 by stalart
[Gaussian] [已完结]高斯分层计算优化 (2/308) zjx187 2013-05-30 2013-05-30 17:26:11 by zjx187
[Gaussian] [已完结]数据不能重复 (1/476) 小窗夜梦 2013-05-30 2013-05-30 16:52:14 by t13340033021
[Gaussian] [已完结]求助gaussview09的应用    ( 1 2 ) (10/2583) liu261591984 2012-07-19 2013-05-30 10:54:00 by ZZU2011
[Gaussian] [已完结]B3LYP 和WB97XD两种方法算吸附能 (0/1241) wangsihang 2013-05-30 2013-05-30 10:21:08 by wangsihang
[Gaussian] [已完结]文献求助 (0/208) 陌上小筑 2013-05-30 2013-05-30 10:04:41 by 陌上小筑
[Gaussian] 【求助】TDDFT可以优化激发态几何吗 (7/1338) lixiaona158 2010-07-20 2013-05-29 13:29:12 by liping888
[Gaussian] [已完结]polyrate9.7 计算速率常数.fu6文件没有Error，不知道怎么办，急急急！ (3/965) ping_liu 2013-05-27 2013-05-29 13:09:58 by yongleli
[Gaussian] [已完结]菜鸟求助高斯计算 (0/448) zjujingzhe 2013-05-29 2013-05-29 11:14:29 by zjujingzhe
[Gaussian] 高斯计算ECD时，构型优化和ECD计算必须是相同基组么？ (1/1021) gca1983 2013-05-28 2013-05-29 10:18:31 by gx174215
[Gaussian] [已完结][关贴]求Gaussian 09 Rev D.01 for Linux EM64T (5/1450) 黄金比例 2013-05-26 2013-05-29 08:19:38 by dreamyeye
[Gaussian] [已完结]含磺酸钠基团的分子如何用高斯优化结构？ (5/1004) 靖翔 2013-05-15 2013-05-28 21:09:15 by 靖翔
[Gaussian] [已完结]【求助】为什么同样一个小分子在Gauss和在MS中算出来的HOMO LUMO的能量不一样呢？ (6/1750) kafeiyue 2013-05-25 2013-05-28 17:54:42 by ZZU2011
[Gaussian] [已完结]寻找过渡态 (2/486) 陌上小筑 2013-05-28 2013-05-28 16:16:45 by 陌上小筑
[Gaussian] [已完结]求此图作图方法 (3/414) 119243775 2013-05-23 2013-05-28 15:20:48 by lihb734
[Gaussian] 【求助】De离解能 (7/723) shinee 2010-10-11 2013-05-28 14:32:04 by 爆炸头1943
[Gaussian] 含磁性原子的结构用高斯进行优化，方法和基组的选取，求建议？ (0/626) 黯焰 2013-05-27 2013-05-27 19:27:38 by 黯焰
[Gaussian] [已完结]高斯分层计算优化 (0/739) zjx187 2013-05-27 2013-05-27 19:01:06 by zjx187
[Gaussian] [已完结]找过渡态，计算出现l716错误 (0/1313) kexue001 2013-05-27 2013-05-27 18:28:52 by kexue001
[Gaussian] [已完结]Gaussian error # 2066 (4/3895) sandy-zhu 2013-05-26 2013-05-27 17:21:17 by dai_shen844
[Gaussian] [已完结]过渡态验证 (0/271) 兔子lizzy 2013-05-27 2013-05-27 15:52:06 by 兔子lizzy
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