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[热点] 312分求调剂 999555 2024-03-30 刚刚
[Gaussian] 求助GaussianVeiw安装包及安装教程 20 (2/1119) fanjiayun 2022-10-02 2023-08-07 20:45:58 by mhsyzhr
[个人文集] 静悄悄,化学键的本质统一了    ( 1 2 3 4 5 6 .. 9 ) (83/7121) zhou2009 2018-12-19 2023-08-06 14:58:21 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 (3/1119) 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 (0/840) maoxiao 2023-07-28 2023-07-28 14:45:27 by maoxiao
[NBO/AIM] NBO 7.0已经发布了! 18 (40/3938) meishensks 2018-11-28 2023-07-22 07:46:39 by zjb-lufia
[Gaussian] 离子化合物模型构建 15 (6/1096) acerabc 2023-07-06 2023-07-08 07:57:05 by shenrenren
[Gaussian] 求助,找过渡态大佬,很听劝 (5/1213) 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 (5/1907) wl19911119 2020-03-17 2023-07-04 01:00:21 by paramecium86
[Gaussian] 3s3p2d2f 收缩基组指的是什么 20 (0/683) 还想努力 2023-06-17 2023-06-17 22:12:58 by 还想努力
[其他] 博后招聘 (0/782) 张玲海 2023-06-14 2023-06-14 11:51:49 by 张玲海
[Gaussian] 关于mac版本的高斯 10 (5/2092) lastzealot 2020-10-18 2023-06-14 09:58:18 by lockey-s
[量化新手 ] Gaussian09 2070错误如何解决? 10 (4/853) 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 (1/695) 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 (0/608) 科研爱我8 2023-06-02 2023-06-02 23:27:17 by 科研爱我8
[Turbomo ] post-HF (1/673) 皮卡77 2023-05-30 2023-05-31 08:38:53 by paramecium86
[其他] cosmo-sac计算无限稀释浓度的程序, 5 (2/1174) 1786680935 2022-02-21 2023-05-30 02:27:36 by wuzs
[Gaussian] Gaussian版权问题 10 (8/2574) Longzikun 2021-11-01 2023-05-28 06:13:33 by 灯火药药
[Turbomo ] orca关键词 (13/920) 皮卡77 2023-05-25 2023-05-26 23:03:47 by 皮卡77
[NBO/AIM] NBO 10 (0/656) blankb 2023-05-26 2023-05-26 09:03:25 by blankb
[Gaussian] 计算转移积分和重组能 20 (2/1070) 阳光下的祝福 2021-03-27 2023-05-26 06:38:59 by Dwj40520
[Gaussian] DP4+ (1/865) 语过添情1 2021-12-28 2023-05-25 22:23:01 by Weiliang
[其他] 找计算化学大佬 (2/841) 一只鳥啊 2023-04-25 2023-05-24 11:10:34 by 淡墨2020
[Gaussian] 2023年南京大学理论与计算化学暑期学校 (0/616) guoxuehui 2023-05-23 2023-05-23 09:27:01 by guoxuehui
[Gaussian] 谁有gaussian09W E01的版本 50 (2/759) aaq2800 2023-04-20 2023-05-22 20:37:51 by paramecium86
[Gaussian] [已完结]TD-DFT计算结果问题 (3/706) Noiost 2023-05-19 2023-05-19 18:26:39 by paramecium86
[Gaussian] 量子化学计算软件 (0/677) XII3049gYo 2023-05-18 2023-05-18 17:18:03 by XII3049gYo
[其他] 目前只能通过活化能间接来计算速率常数吧? (1/599) shuligaoshou 2023-05-16 2023-05-17 12:20:24 by paramecium86
[Gaussian] Gaussian计算分子前线轨道能量 10 (3/716) 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 (1/662) direntian 2023-05-10 2023-05-10 15:16:17 by 山水ww
[Gaussian] 小白发问 (4/753) shouwu_he 2023-05-09 2023-05-10 10:39:24 by shouwu_he
[Gaussian] 高斯bomd中的randomvelocity (2/795) 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 (8/1155) PBX9502 2023-05-07 2023-05-09 12:38:55 by PBX9502
[Gaussian] NBO轨道分析 20 (1/594) 呆瓜呀呀 2023-05-08 2023-05-08 16:41:20 by 895833639
[Gaussian] Gaussian溶剂化 10 (2/583) 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 (0/471) 661288 2023-05-06 2023-05-06 21:14:50 by 661288
[NBO/AIM] NBO out文件无原子轨道 20 (5/688) 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 (0/464) 661288 2023-05-05 2023-05-05 10:23:03 by 661288
[Turbomo ] orca求输入文件模板 119 (19/1248) 15573412521 2022-03-18 2023-05-04 19:04:48 by mt13
[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? (1/597) shuaizhaoz 2023-05-04 2023-05-04 14:55:50 by paramecium86
[Gaussian] 极化率 10 (2/577) 661288 2023-04-28 2023-05-01 09:27:58 by lucent
[Turbomo ] 这两个有没有什么问题?后一个算出来的能量偏大,寻求解决方法! (2/586) 虚心学习的 2023-04-27 2023-04-27 14:23:23 by 虚心学习的
[Turbomo ] 不知道这个算氢气对不对 (4/465) 虚心学习的 2023-04-26 2023-04-26 13:57:44 by 虚心学习的
[Gaussian] Gaussian09w在打开过程中总是自动闪退,系统是win11+锐龙u. 5 (4/780) 戒骄戒躁+ 2023-04-11 2023-04-25 15:11:59 by 895833639
[Gaussian] Gaussian软件包 (1/718) panaggg 2023-04-07 2023-04-25 14:46:08 by 895833639
[Gaussian] 高斯安装参考 (0/476) 895833639 2023-04-25 2023-04-25 11:43:39 by 895833639
[Gaussian] 高斯 5 (2/466) 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 (0/433) 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 (4/1014) org-chemist 2020-11-09 2023-04-17 21:19:22 by zomimi
[Gaussian] [已完结]这个怎么解决,遇到很多次了 (5/737) 虚心学习的 2023-04-13 2023-04-15 08:27:22 by paramecium86
[Gaussian] 结构优化出现2070错误 10 (3/1238) 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 (2/1177) 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 (2/665) 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 (1/561) zhuyoucai 2023-04-07 2023-04-07 20:01:05 by paramecium86
[量化图形 ] Varian Resolutions Pro 5 (0/520) ChenPo 2023-04-04 2023-04-04 15:19:11 by ChenPo
[其他] 第二届厦门原子计算套件(XACS)研讨会(第一轮通知) 6 (4/834) Flora-yao 2023-03-28 2023-04-01 18:40:59 by nono2009
[Turbomo ] 用TDDFT如何进行激发态结构优化以及相关参数设置 5 (3/909) 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 (8/1529) kaige 2023-03-23 2023-03-24 18:57:24 by paramecium86
[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 (23/1184) 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 ) (12/1566) 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? (4/570) 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 (1/503) youxx189 2023-03-14 2023-03-15 09:49:37 by paramecium86
[Gaussian] 更新Exploring Chemistry with Electronic Structure Method_中英文第二版第三版网盘    ( 1 2 ) (61/1379) paramecium86 2020-03-21 2023-03-12 10:37:34 by paramecium86
[其他] 之江实验室招聘计算材料学博士后(年薪40万起) 35 (6/1068) dickli2008 2023-01-06 2023-03-11 22:13:53 by 丨丨丿乛
[Gaussian] 高斯软件如何看剩余计算时间 (3/611) 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 (2/543) 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 (1/363) 计算高斯 2023-03-08 2023-03-09 08:46:11 by paramecium86
[量化图形 ] 软件 Gview6.0 (13/3975) ydtangl 2019-12-08 2023-02-27 13:42:49 by 涉江采薇
[Gaussian] 高斯问题出现2070问题 20 (2/718) 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 (3/481) iamlongwei 2023-02-22 2023-02-23 11:07:38 by iamlongwei
[Gaussian] tmp计算文件过大 5 (6/439) zheng-zj 2023-02-11 2023-02-20 20:57:34 by paramecium86
[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 (1/324) iamlongwei 2023-02-18 2023-02-19 13:56:42 by paramecium86
[其他] octopus (1/262) 皮卡77 2023-02-18 2023-02-18 14:29:30 by WanderingHeart
[Gaussian] [已完结]电荷数和自选多重度设置问题 (2/620) john_39842 2022-12-29 2023-02-15 15:21:56 by bxy-07
[量化新手 ] 化学计算 5 (0/255) 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 (5/592) 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 (2/367) 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 (0/223) 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 (0/384) mahl005 2023-01-17 2023-01-17 14:41:26 by mahl005
[Gaussian] 求Gview 中的AMPAC模块 安装包 15 (7/1212) 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 (1/402) Kuroha丶 2023-01-15 2023-01-15 16:31:51 by ohnesie
[Gaussian] 急求gaussian 09 linux 64 位安装包 (15/663) Able孤 2022-06-13 2023-01-14 08:51:53 by lgygdx
[Gaussian] 如何用Gaussian做DFT+U? 10 (3/487) 元气少女TT 2023-01-11 2023-01-12 17:01:47 by beefly
[Gaussian] Gaussian 5 (2/574) 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 (3/484) Forever0714 2022-12-18 2023-01-11 07:59:11 by 一只会
[Turbomo ] DLPNO-CCSDT算三重态单点,非正常结束 66 (5/840) youxx189 2022-12-12 2022-12-29 19:45:28 by 686810WQ
[Gaussian] DFT计算(CoGEF) 10 (3/1699) 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 (0/361) 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! (0/319) 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 (7/371) MUZIM 2022-12-07 2022-12-07 14:58:50 by XG-WUST
[量化新手 ] 急急急!新生求问怎么交作业? 20 (0/325) 蓝田有玉 2022-12-03 2022-12-03 16:25:01 by 蓝田有玉
[Gaussian] [求助]求windows 10操系统的高斯09软件和配套的gaussview    ( 1 2 3 ) 15 (23/2646) mt13 2020-01-09 2022-12-03 09:00:21 by mt13
[Turbomo ] COSMO-RS 5 (6/1510) tlhm 2018-07-03 2022-12-02 12:21:28 by wyh?ⅴ?
[Gaussian] 有机大分子用什么软件计算 5 (3/465) 987645 2022-11-28 2022-11-29 18:23:48 by paramecium86
[其他] [已完结]求分享SpecDis软件 (4/487) weipron 2022-11-26 2022-11-29 16:36:39 by weipron
[Gaussian] editplus和notepad++打开Gaussian 文本时出现乱码 (8/673) 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 (5/857) HJL0210 2022-11-15 2022-11-18 08:28:49 by HJL0210
[其他] cosmotherm软件求助 (0/256) ementos 2022-11-17 2022-11-17 13:07:27 by ementos
[量化新手 ] 求助 量化 5 (1/262) cany97 2022-11-16 2022-11-16 17:50:40 by cany97
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