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[热点] 277求调剂 anchor17 2026-03-15 刚刚
[Gaussian] SN1反应势能面扫描 10 (2/1371) 虫虫冲wa 2023-11-11 2023-11-15 17:06:10 by 虫虫冲wa
[Gaussian] 自旋多重度 10 (2/1246) 虫虫冲wa 2023-11-04 2023-11-08 15:31:10 by 虫虫冲wa
[Turbomo ] 求助 使用orca对ISC速率进行计算时出现无法调取文件的报错应该怎么解决? 20 (4/1737) 爱上日落 2023-11-02 2023-11-04 10:29:15 by 爱上日落
[文章故事] 求电子书 化学键的本质 5 (0/1090) ghhhdgn 2023-10-18 2023-10-18 14:12:12 by ghhhdgn
[Gaussian] 势能面扫描 10 (1/1426) 虫虫冲wa 2023-10-01 2023-10-06 01:25:38 by paramecium86
[Gaussian] 高斯计算吸附能 60 (2/2164) sjshhe 2023-08-30 2023-09-27 14:20:47 by mo春春Cc
[Gaussian] 结构优化 5 (3/1688) 虫虫冲wa 2023-09-25 2023-09-27 09:11:02 by mo春春Cc
[Gaussian] 求助 10 (2/1284) 虫虫冲wa 2023-09-21 2023-09-23 05:40:10 by 虫虫冲wa
[Gaussian] 求助:gauss 单点能 中断后还能继续算么? 30 (9/4076) aaq2800 2020-10-16 2023-09-18 05:07:26 by aaq2800
[Gaussian] 求gaussview6的gmmx模块Windows版! 5 (5/2948) 山水ww 2022-12-22 2023-09-10 17:58:01 by csyy123
[Gaussian] 2070错误 10 (1/1734) 甜甜美美zh 2023-09-08 2023-09-09 20:56:37 by paramecium86
[Multiwfn] linux系统multiwfn 4 (2/1622) 皮卡77 2023-08-30 2023-09-07 00:35:29 by tzynew
[Gaussian] [已完结]过渡态搜索 (3/2673) myw123456 2020-11-14 2023-09-04 10:44:44 by liuliuHPC
[Multiwfn] [已完结]tsct与tbct比例 (0/1137) 皮卡77 2023-08-30 2023-08-30 14:23:15 by 皮卡77
[Gaussian] [已完结]高斯计算caspt2 (3/4604) lu589 2019-03-18 2023-08-12 12:13:07 by 1234zou
[Molpro/ ] [已完结]求助利用molpro做CASPT2计算的输入文件 (2/1894) 1466036890 2023-05-10 2023-08-12 11:54:16 by 1234zou
[Gaussian] 关于NPA电荷分析反应位点 5 (0/1213) 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 (2/1696) 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 (3/2024) 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 (0/1227) maoxiao 2023-07-28 2023-07-28 14:45:27 by maoxiao
[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 (5/2907) wl19911119 2020-03-17 2023-07-04 01:00:21 by paramecium86
[Gaussian] 3s3p2d2f 收缩基组指的是什么 20 (0/1085) 还想努力 2023-06-17 2023-06-17 22:12:58 by 还想努力
[量化新手 ] Gaussian09 2070错误如何解决? 10 (4/1506) ch环境狗 2023-06-12 2023-06-12 15:54:51 by paramecium86
[Turbomo ] 求助STEOM-DLPNO-CCSD计算荧光光谱峰值位置 5 (1/1352) 皮卡77 2023-06-03 2023-06-03 15:04:06 by paramecium86
[其他] 有人算过Ni10-SiO2110面界面模型吗 10 (0/969) 科研爱我8 2023-06-02 2023-06-02 23:27:17 by 科研爱我8
[其他] cosmo-sac计算无限稀释浓度的程序, 5 (2/1785) 1786680935 2022-02-21 2023-05-30 02:27:36 by wuzs
[NBO/AIM] NBO 10 (0/1039) blankb 2023-05-26 2023-05-26 09:03:25 by blankb
[Gaussian] 计算转移积分和重组能 20 (2/1683) 阳光下的祝福 2021-03-27 2023-05-26 06:38:59 by Dwj40520
[Gaussian] 谁有gaussian09W E01的版本 50 (2/1108) aaq2800 2023-04-20 2023-05-22 20:37:51 by paramecium86
[Gaussian] [已完结]TD-DFT计算结果问题 (3/1442) Noiost 2023-05-19 2023-05-19 18:26:39 by paramecium86
[Gaussian] Gaussian计算分子前线轨道能量 10 (3/1201) 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 (1/1191) direntian 2023-05-10 2023-05-10 15:16:17 by 山水ww
[Gaussian] 【求助】标准生成热Qf与Gaussian计算的标准生成焓ΔHf不对应 10 (8/2279) PBX9502 2023-05-07 2023-05-09 12:38:55 by PBX9502
[Gaussian] Gaussian溶剂化 10 (2/1512) LYCMY 2023-05-07 2023-05-08 13:55:28 by LYCMY
[NBO/AIM] 键能分析和AIM分析结论相反? 10 (0/806) 661288 2023-05-06 2023-05-06 21:14:50 by 661288
[NBO/AIM] NBO out文件无原子轨道 20 (5/1184) 呆瓜呀呀 2023-04-23 2023-05-06 18:07:57 by 呆瓜呀呀
[Gaussian] 稳定性分析 10 (0/773) 661288 2023-05-05 2023-05-05 10:23:03 by 661288
[Multiwfn] [已完结]Multiwfn画DFT的电子密度图时,格点(grid point)处的值是如何得到的? (1/1162) shuaizhaoz 2023-05-04 2023-05-04 14:55:50 by paramecium86
[Gaussian] 极化率 10 (2/1067) 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 (4/1824) 戒骄戒躁+ 2023-04-11 2023-04-25 15:11:59 by 895833639
[Gaussian] 高斯 5 (2/1089) 啵啵是大哥 2023-04-23 2023-04-24 08:44:46 by 啵啵是大哥
[Gamess/ ] 求助:大肠杆菌的结构 mol 5 (0/707) 明月之圆缺 2023-04-23 2023-04-23 14:29:14 by 明月之圆缺
[其他] [已完结]求助spartan14及以上版本-软件 crack (4/1489) org-chemist 2020-11-09 2023-04-17 21:19:22 by zomimi
[Gaussian] 结构优化出现2070错误 10 (3/2018) 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 (2/1962) LYCMY 2023-03-21 2023-04-11 19:32:17 by 王王犁
[Molpro/ ] 分析分子轨道类型,急求! 10 (2/1162) 困倦少女 2023-02-14 2023-04-10 09:42:45 by 困倦少女
[Turbomo ] orca论坛如何提问 5 (1/935) zhuyoucai 2023-04-07 2023-04-07 20:01:05 by paramecium86
[量化图形 ] Varian Resolutions Pro 5 (0/861) ChenPo 2023-04-04 2023-04-04 15:19:11 by ChenPo
[Turbomo ] 用TDDFT如何进行激发态结构优化以及相关参数设置 5 (3/1669) Han_ping 2023-02-10 2023-03-29 15:52:15 by 季秋十八
[量化新手 ] [已完结]gaussian计算显示2070错误 (8/2338) kaige 2023-03-23 2023-03-24 18:57:24 by paramecium86
[Gaussian] [已完结]算103个原子结构优化要多久    ( 1 2 ) (12/3863) 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? (4/1215) 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 (1/873) youxx189 2023-03-14 2023-03-15 09:49:37 by paramecium86
[Gaussian] 高斯优化分析结构一直在进行 20 (2/1229) 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 (1/1229) 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 (2/1259) 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 (3/1018) 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 (1/793) 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 (2/1175) john_39842 2022-12-29 2023-02-15 15:21:56 by bxy-07
[量化新手 ] 化学计算 5 (0/580) April_C 2023-02-11 2023-02-11 22:41:54 by April_C
[Gaussian] 新手求助;吸附能计算;CO2;掺氮碳 5 (5/1298) 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 (2/821) xiaofeie 2023-02-04 2023-02-04 21:31:34 by xiaofeie
[量化图形 ] 求助入门的相位干涉以及解缠的文章 5 (0/537) 夜光中的人 2023-01-26 2023-01-26 22:35:50 by 夜光中的人
[Gaussian] 求助有机分子载流子传输积分, 5 (0/634) 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 (7/1652) 心橙dream 2020-02-14 2023-01-17 09:31:56 by iamlongwei
[Gaussian] Gaussian 5 (2/997) 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 (3/1004) Forever0714 2022-12-18 2023-01-11 07:59:11 by 一只会
[Gaussian] DFT计算(CoGEF) 10 (3/2889) 蚂蚁奔跑 2021-03-26 2022-12-29 16:44:22 by 686810WQ
[Molpro/ ] 请问molpro如何指定mp2fit辅助基组? 66 (0/896) luqing6879 2022-12-14 2022-12-14 09:03:32 by luqing6879
[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! (0/576) 羊羊甜点屋0 2022-12-13 2022-12-13 16:05:49 by 羊羊甜点屋0
[量化新手 ] 急急急!新生求问怎么交作业? 20 (0/598) 蓝田有玉 2022-12-03 2022-12-03 16:25:01 by 蓝田有玉
[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 ) (23/3697) 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 (3/1076) 987645 2022-11-28 2022-11-29 18:23:48 by paramecium86
[量化新手 ] 求助 量化 5 (1/697) cany97 2022-11-16 2022-11-16 17:50:40 by cany97
[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 (0/839) 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 (0/668) kaige 2022-11-12 2022-11-12 18:40:12 by kaige
[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 (3/967) 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 (0/438) 还想努力 2022-11-09 2022-11-09 22:11:56 by 还想努力
[Turbomo ] 求资源:ORCA Windows版本 最新版安装包,谢谢大家 5 (5/1376) 深爱小李 2022-09-29 2022-10-27 21:38:46 by WRYPQP
[量化图形 ] 求助spartan14及以上版本-软件 80 (1/1019) zgzykxyygp 2022-10-22 2022-10-26 23:34:11 by qqqqqq123456
[文章故事] 求助:Wigner Tunneling 问题 5 (1/640) dubn 2022-10-25 2022-10-25 22:41:36 by dubn
[Gaussian] 高斯opt+freq续算问题 10 (1/1486) 1773258 2022-10-22 2022-10-23 07:54:53 by paramecium86
[Gaussian] 键解离能计算 50 (1/908) 清玉涟漪 2022-10-19 2022-10-19 16:17:43 by 清玉涟漪
[Gaussian] Gaussian计算 30 (1/1083) 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 (2/1347) 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 (2/843) 汐溪曦郗 2022-10-12 2022-10-14 14:07:09 by 谁家那小孩
[其他] 求助一份gulp软件 10 (0/524) shirt 2022-10-10 2022-10-10 01:42:11 by shirt
[Gaussian] [已完结][关贴]求助Gauss view5.0版本安装包 (1/726) 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 (1/771) 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 (6/2193) 木木木zms 2021-08-09 2022-10-01 20:42:55 by 川农唐林
[Gaussian] [已完结][关贴]求资源:gaussian09 D或E版本及其配套gaussianview软件 (0/545) 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 ) (11/2948) 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 (8/2041) 清玉涟漪 2022-08-27 2022-09-21 13:17:20 by 清玉涟漪
[Turbomo ] 求助 5 (1/798) 万事顺意北 2022-03-24 2022-09-19 05:03:14 by tan1oo1
[Gaussian] 高斯 5 (1/4298) 任莹莹加油 2022-09-16 2022-09-19 03:20:14 by paramecium86
[其他] 化学态结构软件 2 (2/743) 987645 2022-09-06 2022-09-06 20:15:33 by 987645
[量化新手 ] 关于vibrational scf 和vibrational mp2的问题 10 (0/559) luqing6879 2022-09-06 2022-09-06 16:40:43 by luqing6879
[Gaussian] [已完结][关贴]求助gaussian16 X64的 linux安装包 (0/876) DoctorWhor 2022-09-02 2022-09-02 08:42:25 by DoctorWhor
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