24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|QC强帖排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 量子化学 » Gaussian 订阅

管理团队 (金币库 106926 充值 )

主管区长：
月只蓝小红豆
主管版主：
zhou2009paramecium86

杰出贡献者

专家顾问：
beeflyjieweiggdh卡开发发dxcharlaryjpchou
荣誉版主：
lei0736zzgybwuli8aylayl08nono2009fegg7502zzy870720zuuv2010csfn御剑江湖yjcmwgkgmy1990ben_ladengcenwanglailjw4010
荣誉成员：
erylingjetheyo_123gkf高
7802/8上一页123456下一页
全部 文章故事 个人文集 Gaussian 量化图形可视化软件 NBO/AIM ADF/Dalton Molpro/Molcas Gamess/Q-Chem HyperChem/NWChem ChemOffice Multiwfn Turbomole/ORCA SAPT/AOMix/Swizard Semi-empirical 量化新手直通车 Linux应用 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 26申博自荐 东西南北东。 2025-12-26 刚刚
[Gaussian] [已完结]过渡态搜索 (3/2578) myw123456 2020-11-14 2023-09-04 10:44:44 by liuliuHPC
[Gaussian] [已完结]高斯计算caspt2 (3/4504) lu589 2019-03-18 2023-08-12 12:13:07 by 1234zou
[Gaussian] 关于NPA电荷分析反应位点 5 (0/1174) 爱吃山竹a 2023-08-11 2023-08-11 18:59:19 by 爱吃山竹a
[Gaussian] 求助GaussianVeiw安装包及安装教程 20 (2/1620) fanjiayun 2022-10-02 2023-08-07 20:45:58 by mhsyzhr
[Gaussian] gaussian 16W 打开gif文件显示报错193、1400，输出文件空白，怎么解决呀 5 (3/1923) youang 2023-07-20 2023-07-31 18:56:39 by qhding
[Gaussian] [关贴]各位大神，求助windows 10操作系统的高斯09软件和配套的gaussview 20 (0/1187) maoxiao 2023-07-28 2023-07-28 14:45:27 by maoxiao
[Gaussian] 离子化合物模型构建 15 (6/1842) acerabc 2023-07-06 2023-07-08 07:57:05 by shenrenren
[Gaussian] 求助，找过渡态大佬，很听劝 (5/1997) 一只鳥啊 2023-04-11 2023-07-07 06:25:46 by 陈俊飞
[Gaussian] [已完结]有偿求助高斯计算有机小分子鎓盐的单三线态能级差的详细步骤 (5/2744) wl19911119 2020-03-17 2023-07-04 01:00:21 by paramecium86
[Gaussian] 3s3p2d2f 收缩基组指的是什么 20 (0/1051) 还想努力 2023-06-17 2023-06-17 22:12:58 by 还想努力
[Gaussian] 计算转移积分和重组能 20 (2/1603) 阳光下的祝福 2021-03-27 2023-05-26 06:38:59 by Dwj40520
[Gaussian] DP4+ (1/1487) 语过添情1 2021-12-28 2023-05-25 22:23:01 by Weiliang
[Gaussian] 2023年南京大学理论与计算化学暑期学校 (0/1023) guoxuehui 2023-05-23 2023-05-23 09:27:01 by guoxuehui
[Gaussian] 谁有gaussian09W E01的版本 50 (2/1056) aaq2800 2023-04-20 2023-05-22 20:37:51 by paramecium86
[Gaussian] [已完结]TD-DFT计算结果问题 (3/1351) Noiost 2023-05-19 2023-05-19 18:26:39 by paramecium86
[Gaussian] 量子化学计算软件 (0/1237) XII3049gYo 2023-05-18 2023-05-18 17:18:03 by XII3049gYo
[Gaussian] Gaussian计算分子前线轨道能量 10 (3/1128) LYCMY 2023-05-11 2023-05-12 00:20:58 by paramecium86
[Gaussian] 求分享一个GaussView的GMMX模块的win版安装包 28 (1/1156) direntian 2023-05-10 2023-05-10 15:16:17 by 山水ww
[Gaussian] 小白发问 (4/1167) shouwu_he 2023-05-09 2023-05-10 10:39:24 by shouwu_he
[Gaussian] 高斯bomd中的randomvelocity (2/1190) 皮卡77 2023-04-25 2023-05-09 19:29:30 by 皮卡77
[Gaussian] 【求助】标准生成热Qf与Gaussian计算的标准生成焓ΔHf不对应 10 (8/2110) PBX9502 2023-05-07 2023-05-09 12:38:55 by PBX9502
[Gaussian] NBO轨道分析 20 (1/989) 呆瓜呀呀 2023-05-08 2023-05-08 16:41:20 by 895833639
[Gaussian] Gaussian溶剂化 10 (2/1412) LYCMY 2023-05-07 2023-05-08 13:55:28 by LYCMY
[Gaussian] 稳定性分析 10 (0/753) 661288 2023-05-05 2023-05-05 10:23:03 by 661288
[Gaussian] 极化率 10 (2/1005) 661288 2023-04-28 2023-05-01 09:27:58 by lucent
[Gaussian] Gaussian09w在打开过程中总是自动闪退，系统是win11+锐龙u. 5 (4/1734) 戒骄戒躁+ 2023-04-11 2023-04-25 15:11:59 by 895833639
[Gaussian] Gaussian软件包 (1/1138) panaggg 2023-04-07 2023-04-25 14:46:08 by 895833639
[Gaussian] 高斯安装参考 (0/931) 895833639 2023-04-25 2023-04-25 11:43:39 by 895833639
[Gaussian] 高斯 5 (2/1028) 啵啵是大哥 2023-04-23 2023-04-24 08:44:46 by 啵啵是大哥
[Gaussian] 结构优化出现2070错误 10 (3/1938) 661288 2023-04-12 2023-04-14 03:12:06 by paramecium86
[Gaussian] 本科毕设Gaussian的DFT一般计算多久算正常时间 10 (2/1893) LYCMY 2023-03-21 2023-04-11 19:32:17 by 王王犁
[Gaussian] 请教各位大神，怎么计算金属配位聚合物一个配位单元的LUMO和HOMO (23/1661) JYJ0425 2023-03-15 2023-03-24 10:48:42 by 云在青天
[Gaussian] [已完结]算103个原子结构优化要多久    ( 1 2 ) (12/3615) 601的大王 2022-05-08 2023-03-16 10:28:34 by EsperanzaM
[Gaussian] [已完结]求助：ST能量计算在914.Exe阶段终止，是否是内存问题，如何解决？ (4/1093) Noiost 2023-03-14 2023-03-15 14:47:46 by Noiost
[Gaussian] CCSD(T)算单点时HF不收敛，但是HF直接算单点收敛 66 (1/839) youxx189 2023-03-14 2023-03-15 09:49:37 by paramecium86
[Gaussian] 高斯软件如何看剩余计算时间 (3/1324) sth001 2023-03-07 2023-03-11 03:08:14 by paramecium86
[Gaussian] 高斯优化分析结构一直在进行 20 (2/1177) LLW199 2023-03-10 2023-03-11 03:06:42 by paramecium86
[Gaussian] Gaussian 09引用信息如何用Endnote导入 20 (1/1093) 计算高斯 2023-03-08 2023-03-09 08:46:11 by paramecium86
[Gaussian] 高斯问题出现2070问题 20 (2/1179) 辰未爱吃糖 2023-02-23 2023-02-24 07:47:10 by 辰未爱吃糖
[Gaussian] Gaussian计算生成热然的一个教程中，居然发现计算的例子错了，请高手进来指点迷津？ 10 (3/942) iamlongwei 2023-02-22 2023-02-23 11:07:38 by iamlongwei
[Gaussian] 求助Gaussian计算生成热然后到材料的感度的相关计算问题？求高手帮忙进来指点，谢谢。 20 (1/745) iamlongwei 2023-02-18 2023-02-19 13:56:42 by paramecium86
[Gaussian] [已完结]电荷数和自选多重度设置问题 (2/1113) john_39842 2022-12-29 2023-02-15 15:21:56 by bxy-07
[Gaussian] 新手求助；吸附能计算；CO2；掺氮碳 5 (5/1164) longyonx 2023-02-05 2023-02-07 21:28:58 by paramecium86
[Gaussian] [已完结]新手求助Gaussian计算中算法问题 (2/776) xiaofeie 2023-02-04 2023-02-04 21:31:34 by xiaofeie
[Gaussian] 求助有机分子载流子传输积分， 5 (0/611) mahl005 2023-01-17 2023-01-17 14:41:26 by mahl005
[Gaussian] [已完结]求Gview 中的AMPAC模块 安装包 (7/1539) 心橙dream 2020-02-14 2023-01-17 09:31:56 by iamlongwei
[Gaussian] Gaussian可以进行分子筛的吸附模拟吗 (1/764) Kuroha丶 2023-01-15 2023-01-15 16:31:51 by ohnesie
[Gaussian] 急求gaussian 09 linux 64 位安装包 (15/882) Able孤 2022-06-13 2023-01-14 08:51:53 by lgygdx
[Gaussian] Gaussian 5 (2/939) 甜甜美美zh 2023-01-06 2023-01-11 22:15:14 by 元气少女TT
[Gaussian] 同分异构体的DFT计算 25 (3/934) Forever0714 2022-12-18 2023-01-11 07:59:11 by 一只会
[Gaussian] DFT计算（CoGEF） 10 (3/2770) 蚂蚁奔跑 2021-03-26 2022-12-29 16:44:22 by 686810WQ
[Gaussian] [已完结][关贴]求linux版的Guassian09或者Guassian03安装包，可发邮箱624424997@qq.com，非常感谢！ (0/551) 羊羊甜点屋0 2022-12-13 2022-12-13 16:05:49 by 羊羊甜点屋0
[Gaussian] Gaussian求助 (7/618) MUZIM 2022-12-07 2022-12-07 14:58:50 by XG-WUST
[Gaussian] [已完结][求助]求windows 10操系统的高斯09软件和配套的gaussview    ( 1 2 3 ) (23/3436) mt13 2020-01-09 2022-12-03 09:00:21 by mt13
[Gaussian] 有机大分子用什么软件计算 5 (3/974) 987645 2022-11-28 2022-11-29 18:23:48 by paramecium86
[Gaussian] editplus和notepad++打开Gaussian 文本时出现乱码 (8/1136) kaige 2022-11-21 2022-11-21 22:24:35 by XG-WUST
[Gaussian] 有可以提供Gaussian软件计算代算的吗 (5/1304) HJL0210 2022-11-15 2022-11-18 08:28:49 by HJL0210
[Gaussian] 量化计算Gaussian/求助，请问IRC计算出来的曲线两端不是目标的反应物/产物怎么办 18 (0/777) echo_79184 2022-11-16 2022-11-16 10:56:47 by echo_79184
[Gaussian] alpha和beta 轨道的homo和lumo绘制 30 (0/635) kaige 2022-11-12 2022-11-12 18:40:12 by kaige
[Gaussian] link died!求助 (12/1024) Duchuqunju 2022-11-03 2022-11-10 19:49:57 by Duchuqunju
[Gaussian] 请问用高斯计算锕系双原子或小团簇分子该如何选取基组？ 20 (3/882) 还想努力 2022-11-03 2022-11-10 09:46:38 by paramecium86
[Gaussian] 请问中心有78个电子的RECP基组，在高斯输入卡中应该怎么写呢？ 20 (0/412) 还想努力 2022-11-09 2022-11-09 22:11:56 by 还想努力
[Gaussian] 荧光或者磷光发射过程，存在MLCT、LLCT、LMCT、LC、MC等过程吗？ (6/4729) simiamest 2020-10-17 2022-11-09 09:30:15 by 农大学习
[Gaussian] 高斯opt+freq续算问题 10 (1/1363) 1773258 2022-10-22 2022-10-23 07:54:53 by paramecium86
[Gaussian] 键解离能计算 50 (1/878) 清玉涟漪 2022-10-19 2022-10-19 16:17:43 by 清玉涟漪
[Gaussian] Gaussian计算 30 (1/1035) 昂寇与光 2022-10-18 2022-10-19 01:30:56 by paramecium86
[Gaussian] Gaussian无法创建临时文件 30 (2/1270) AI骆骆呀 2022-10-18 2022-10-19 01:27:10 by paramecium86
[Gaussian] 求助:有人找过计算化学的代算吗？ 10 (2/796) 汐溪曦郗 2022-10-12 2022-10-14 14:07:09 by 谁家那小孩
[Gaussian] [已完结][关贴]求助Gauss view5.0版本安装包 (1/680) CrushA 2022-10-05 2022-10-06 22:03:54 by tan1oo1
[Gaussian] 求助: 科音量子化学培训资料 6 (1/731) ZeroCold 2022-10-03 2022-10-03 21:38:49 by paramecium86
[Gaussian] 求gaussian09d.0 1 windows 64位版本!万分感谢 10 (6/2110) 木木木zms 2021-08-09 2022-10-01 20:42:55 by 川农唐林
[Gaussian] 溶剂效应加完之后总是出现L301的错误 5 (2/860) 高佳乐 2022-07-07 2022-09-30 05:48:41 by 770904134
[Gaussian] 高斯相关术语请教 10 (0/782) ggk1218 2022-09-26 2022-09-26 17:52:33 by ggk1218
[Gaussian] [已完结][关贴]求资源：gaussian09 D或E版本及其配套gaussianview软件 (0/524) 深爱小李 2022-09-24 2022-09-24 16:09:50 by 深爱小李
[Gaussian] [已完结]gaussian安装包求助    ( 1 2 ) (11/2810) yudaly 2019-07-09 2022-09-24 13:06:22 by 深爱小李
[Gaussian] 高斯计算单点能时关键词的使用 50 (8/1852) 清玉涟漪 2022-08-27 2022-09-21 13:17:20 by 清玉涟漪
[Gaussian] 高斯 5 (1/4259) 任莹莹加油 2022-09-16 2022-09-19 03:20:14 by paramecium86
[Gaussian] [已完结][关贴]求助gaussian16 X64的 linux安装包 (0/829) DoctorWhor 2022-09-02 2022-09-02 08:42:25 by DoctorWhor
[Gaussian] 求助 20 (2/625) 万事顺意北 2022-08-25 2022-08-26 08:33:58 by 万事顺意北
[Gaussian] 高斯计算单重态和三重态 50 (2/1133) JYJ0425 2022-08-09 2022-08-10 10:05:48 by JYJ0425
[Gaussian] [已完结]Gaussian16一直卡在Warning!!: The smallest alpha delta epsilon is 0.88940106D-01 (3/1953) afko9138 2020-12-18 2022-08-09 08:52:44 by paramecium86
[Gaussian] 如何计算有机化合物的布居电荷，吉布斯自由能，焓变 10 (1/821) 半岛抗体 2022-08-04 2022-08-05 01:38:53 by paramecium86
[Gaussian] 两个化合物的键能差1 KJ/mol算大吗 50 (2/627) 清玉涟漪 2022-07-30 2022-08-02 19:59:14 by yongleli
[Gaussian] no d functions.的报错 5 (1/572) wkfg 2022-07-31 2022-08-01 08:53:08 by paramecium86
[Gaussian] 带有自由基结构在gaussian view中设置spin 100 (2/1194) 清玉涟漪 2022-07-25 2022-07-30 17:17:41 by 清玉涟漪
[Gaussian] 酸性条件下醚的质子化 5 (0/679) wyq199877 2022-07-22 2022-07-22 06:15:30 by wyq199877
[Gaussian] 理论计算量子产率 (4/643) ??中路 2022-07-11 2022-07-11 18:37:32 by weiylwyl
[Gaussian] 如何做MRCI计算 5 (2/921) 新手初学者 2022-06-23 2022-07-08 20:21:41 by 马原毛中特
[Gaussian] 网上下载的gaussian09一直装不上    ( 1 2 ) (12/2418) kohaku225 2019-04-10 2022-07-08 05:29:22 by 天天进步啊
[Gaussian] [已完结]Gaussian09W一运行立马报错2070但是输出文件里没有给出任何关于错误的信息就停止了 (3/1427) 北北木 2022-06-30 2022-07-03 15:26:07 by 北北木
[Gaussian] 氧化铁团簇 (0/401) 感恩涤生 2022-07-03 2022-07-03 10:59:29 by 感恩涤生
[Gaussian] 怎么计算基态S0和第一激发态S1结构的重组能？ 50 (3/1702) 学员AO62qX 2022-06-28 2022-06-28 23:39:56 by 真biss
[Gaussian] [已完结][关贴]Gaussian03 Linux (0/532) 谁踩我鞋带啦 2022-06-18 2022-06-18 10:14:10 by 谁踩我鞋带啦
[Gaussian] [已完结]计算dppf与醋酸钯螯合物出现的错误 (1/607) wkfg 2022-06-17 2022-06-17 18:02:23 by paramecium86
[Gaussian] [已完结]Gaussian 03软件 (7/2408) caozengli 2019-01-14 2022-06-17 16:36:10 by 谁踩我鞋带啦
[Gaussian] [关贴]请问大家L型氨基酸和D型氨基酸的LUMO和HOMO轨道能量是不同的吗？ 1 (20/932) JYJ0425 2022-05-25 2022-06-02 10:36:45 by 云在青天
[Gaussian] 如何用 Gaussian view 构建不同尺寸的石墨烯？ 50 (0/768) z0gh 2022-05-31 2022-05-31 11:50:00 by z0gh
[Gaussian] 6-31（d，p）和6-31G（d，p）基组有什么不同？ 10 (1/1216) 水滴娃娃O 2022-05-28 2022-05-29 14:05:37 by paramecium86
[Gaussian] 关于Gaussian计算 5 (3/916) :ztt 2022-05-28 2022-05-29 05:47:09 by paramecium86
7802/8上一页123456下一页
相关版块跳转
查看