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[热点] 过年走亲戚时感受到了所开私家车的鄙视链 瞬息宇宙 2026-02-21 刚刚
[Gaussian] 【分享】gaussian出来的名言,太经典了 (1/1230) gmy1990 2011-02-27 2020-11-22 21:43:33 by 无崖
[Gaussian] 二维柔性扫描遇到的问题 13 (0/782) myw123456 2020-11-17 2020-11-17 09:03:45 by myw123456
[其他] linux集群作业调度软件maui-3[1].3.1 (21/2873) menzdao 2016-03-17 2020-11-16 13:45:57 by 我是小学弟
[Gaussian] [已完结]柔性扫描的result结果怎么找到 (1/1509) myw123456 2020-11-16 2020-11-16 13:25:35 by paramecium86
[Gaussian] 理论计算都发哪些SCI杂志哦? (8/3137) x7511413 2011-06-01 2020-11-15 17:45:00 by kwcha333
[Gaussian] [已完结]求Gaussian 64位的windows版本,    ( 1 2 ) (13/3864) s044154lyg 2018-12-14 2020-11-15 12:36:35 by 董honor
[量化新手 ] polyrate中ifreq设置 6 (0/869) TaoB 2020-11-15 2020-11-15 11:21:04 by TaoB
[Gaussian] [已完结][关贴]求助一份Linux版本的Gaussian09软件包 (3/1022) qyyos 2020-11-14 2020-11-14 22:19:45 by Nilman
[其他] [已完结]有谁有清华大学庄鹏飞的高等量子力学的讲义? (6/2753) bemyselfbio 2019-02-03 2020-11-14 09:07:19 by glacierpan
[Gaussian] [已完结][关贴]求高斯09软件和配套的gaussview (0/906) Shirley0313 2020-11-13 2020-11-13 15:45:15 by Shirley0313
[Gaussian] Gaussian模拟中间体 虚频总有一个负的 怎么办? (2/1123) 可惜没如果_ 2020-11-08 2020-11-13 10:47:59 by 可惜没如果_
[其他] 用Materials Sudio里的DMol3模块优化α-Fe2O3的体结构 (1/911) JDCooper 2018-12-06 2020-11-12 19:47:20 by Lurgi
[Gaussian] 高斯计算能量 5 (0/1150) 1996lyn 2020-11-11 2020-11-11 15:54:48 by 1996lyn
[Gaussian] 救救孩子的高斯计算吧 (0/517) 好久不丶贱 2020-11-09 2020-11-09 11:35:11 by 好久不丶贱
[ADF/Dal ] [已完结]ADF的ReaxFF报错:mpirun: Drive is not a network mapped - using local drive. (2/2233) 313804869 2019-12-10 2020-11-08 20:49:13 by suncener
[量化新手 ] 【整理】今天整理硬盘上的资料,偶然发现的好玩的小东西就直接发上来吧    ( 1 2 3 4 5 6 .. 11 ) (评阅+50) (QC强帖+1)(105/18213) yjcmwgk 2011-03-20 2020-11-08 19:42:45 by 风飘的轨迹
[ADF/Dal ] [已完结][关贴]求gaussian09d.01 linux 64位版本软件包,万分感谢!!! (0/696) danni511 2020-11-08 2020-11-08 16:51:49 by danni511
[Gaussian] QST2优化三天了,还没有结束,帮忙看下有没有问题 5 (3/1219) sealanlan 2020-10-22 2020-11-07 22:46:09 by wolfzhong
[Gaussian] [已完结]高斯计算化学键能求助 (4/1472) hee_csu 2018-10-24 2020-11-07 19:33:20 by wolfzhong
[Gaussian] 分子内激发态质子转移的问题,谢谢指点 (6/2516) 小范范1989 2017-02-17 2020-11-07 19:26:09 by wolfzhong
[Gaussian] [已完结][关贴]求Gaussion03或09软件,答谢 (0/579) njuchemrabbit 2020-11-06 2020-11-06 10:06:08 by njuchemrabbit
[Gaussian] 求个G16 avx版 50 (0/875) minbad 2020-11-05 2020-11-05 13:46:23 by minbad
[Gaussian] [已完结]两个结构类似的分子做柔性势能面扫描,结果差别很大,可否帮忙看下怎么回事? (5/2469) sealanlan 2020-10-30 2020-11-01 17:12:34 by paramecium86
[其他] 晶体001面 (3/3197) lei234 2012-04-11 2020-11-01 09:33:12 by H_melody
[Linux应 ] 求教,怎么用winSCP/putty分子结构的优化?求解下图操作错在哪里? 10 (1/1566) 莫吉托 2020-10-29 2020-10-30 01:28:54 by paramecium86
[Gaussian] [已完结]求资源chemcraft (5/1713) tianmafei 2020-02-16 2020-10-24 23:11:51 by funny1dog
[Gaussian] 自旋密度绘制 5 (1/738) wllneedlearn 2020-10-22 2020-10-23 12:39:43 by paramecium86
[ChemOff ] Chem3d怎么和gaussian连接? 60 (0/1234) ....2 2020-10-23 2020-10-23 01:45:16 by ....2
[Gaussian] 求助:金属团簇Fe-NU-1000所带电荷及自旋多重度的判断 15 (5/2108) xiapin 2020-10-15 2020-10-22 23:56:40 by xiapin
[Turbomo ] 哪位有 Turbomole 教程 求分享 10 (0/1124) 大力2010 2020-10-22 2020-10-22 10:58:47 by 大力2010
[其他] 含时密度泛函(TDDFT)英文资料    ( 1 2 ) (87/5211) fourkkk 2014-07-11 2020-10-21 12:32:32 by 红色小黄人
[Gaussian] 量子计算化学大师Kendall N Houk的一些论文和相关的计算学习    ( 1 2 3 ) (128/6832) scottfreedom 2011-10-25 2020-10-20 13:27:53 by labelwang
[量化新手 ] [已完结]分子的基频振动频率怎么算? (2/2874) 白随风 2020-07-23 2020-10-20 12:00:59 by 白随风
[量化新手 ] 表面吸附物种的绝对吉布斯自由能计算 (13/3782) danielguo12 2018-11-07 2020-10-14 07:09:20 by zmj小
[其他] 计算分子光谱学    ( 1 2 3 ) (132/5428) hakuna 2014-09-18 2020-10-12 11:15:54 by redlinn
[其他] P.Hobza:非键相互作用    ( 1 2 3 ) (107/3566) yjcmwgk 2014-01-09 2020-10-12 07:05:12 by 莫吉托
[其他] 研究助理招聘 (3/920) dielectric1 2020-06-07 2020-10-12 06:52:42 by dielectric1
[其他] 投票:  TDDF来研究离子实在激发态下的运动状况    ( 1 2 ) (96/1900) enola 2018-03-23 2020-10-10 20:32:11 by 小红豆
[Gamess/ ] [已完结]用chembio3D自带的gamess计算,程序如下,出现中断,请高手帮忙分析一下是什么原因! (6/2606) xjyuanxj 2012-11-18 2020-10-09 19:16:50 by 颜朽儿
[Gaussian] [已完结][关贴]求guassian和guassian view 资源 (0/460) 三花的花 2020-10-09 2020-10-09 16:59:15 by 三花的花
[Gaussian] [已完结][关贴]求Gaussian09 Windows10 64位版本安装包,谢谢!win10 64位! (1/1135) smayday 2020-10-08 2020-10-08 01:18:19 by 胡竹峰
[Molpro/ ] [专家] Molpro 2010.1中文使用手册    ( 1 2 3 4 ) (158/7923) beefly 2011-11-21 2020-10-07 20:32:35 by nnipp
[Gaussian] 培训班搞到的Gaussian资料    ( 1 2 3 4 5 6 ) (276/15010) sumsung1988 2013-07-05 2020-10-07 19:34:11 by 少连长
[Gaussian] [已完结]有人在mac上成功安裝過gaussian嗎?    ( 1 2 ) (11/3224) meper 2013-09-27 2020-10-07 18:59:02 by lastzealot
[Gaussian] [已完结][关贴]求助windows 10操作系统的高斯09软件和配套的gaussview,哪位大佬分享一下,谢谢? (0/794) 一枚子 2020-10-07 2020-10-07 17:51:00 by 一枚子
[Gaussian] 高斯安装问题 (2/908) 江汉秋影燕 2020-10-06 2020-10-06 22:33:45 by 江汉秋影燕
[Gaussian] [已完结][关贴]求gaussian09 linux64位版本 (0/619) 背影里的微笑 2020-10-06 2020-10-06 19:38:54 by 背影里的微笑
[Gaussian] [已完结]求高斯软件 (5/1201) 弄潮儿669 2019-07-26 2020-10-06 17:15:01 by 薄凉月左、
[Gaussian] [已完结]求助windows 10操作系统的高斯09软件和配套的gaussview    ( 1 2 3 ) (22/3423) lymyan 2019-12-02 2020-10-06 17:09:53 by 薄凉月左、
[量化图形 ] [已完结]G09在Linux下的ntrex1错误 (3/2967) vincentmomo 2016-11-27 2020-10-05 13:00:05 by mgfudan
[Gaussian] 溶剂环境下计算小分子配合物荧光发射的振荡问题 10 (1/1547) simiamest 2020-10-04 2020-10-04 18:29:39 by beefly
[量化新手 ] 求助 6 (0/746) big rain 2020-10-03 2020-10-03 13:17:59 by big rain
[量化新手 ] [已完结]哪些软件可以做eom-ip-ccsd计算 (4/1443) exabyss916 2016-02-29 2020-10-02 09:24:19 by asdkxxx
[Gaussian] 高斯输出文件各部分参数的含义 20 (2/1345) 菜小菜加油 2020-09-30 2020-09-30 14:45:37 by 天天进步啊
[量化新手 ] 如何计算在立体环各个平面上的芳香性 10 (1/1458) 温阿温i 2020-09-30 2020-09-30 10:06:49 by paramecium86
[Gaussian] [关贴]求gaussian和gaussview软件 (0/797) chlemail 2020-09-29 2020-09-29 21:23:12 by chlemail
[Gaussian] [已完结][关贴]求Gaussian09 ,gaussview windows版本安装包 (0/584) wanghui432 2020-09-29 2020-09-29 11:14:14 by wanghui432
[Gaussian] [已完结][关贴]求 win10操作系统 (64位) Gaussian软件安装包, (0/559) chlemail 2020-09-28 2020-09-28 11:57:18 by chlemail
[Gaussian] [已完结]求Gaussian软件用的基组pcSseg-1(C、H、O、N) (4/1537) hee_csu 2020-09-27 2020-09-28 11:08:22 by paramecium86
[其他] 请问讲分子轨道比较好的书籍有哪些? (1/1795) masigang2014 2017-01-25 2020-09-28 06:47:00 by 杰天空
[其他] 求助 6 (0/470) big rain 2020-09-27 2020-09-27 22:02:43 by big rain
[其他] [已完结]南京大学化学系理论与计算化学研究所怎么样 (5/3708) 15216105346 2016-10-03 2020-09-27 14:01:50 by 不羁13
[Gaussian] 计算新手_电荷和多重度问题 20 (1/834) 18235483428 2020-09-23 2020-09-23 22:59:06 by paramecium86
[Gaussian] [已完结]QTS2运行时停留在L103 (1/849) gscn 2020-09-23 2020-09-23 22:29:42 by paramecium86
[量化新手 ] 求教怎样用gaussview把计算过程在文章中以存档条目呈现 50 (1/908) 独行无疆 2020-09-23 2020-09-23 22:15:30 by paramecium86
[其他] 求ABC安装包和教程 5 (0/481) wulalababa 2020-09-23 2020-09-23 14:55:50 by wulalababa
[Gaussian] [已完结]MM microiterations failed 求助 (2/1294) xytk04 2014-08-07 2020-09-23 05:39:36 by 千百年的白狐
[Gaussian] [已完结]求助Gaussian 09的64位linux版本和配套的gaussview,有哪位大佬能分享一下不? (9/2114) 科研冲啊 2019-11-26 2020-09-22 12:01:52 by 小气鬼大男人
[Molpro/ ] molpro 说明书 (43/3417) 孙1986 2013-08-22 2020-09-21 08:24:15 by wangkd
[Gaussian] [已完结][关贴]求Gaussian09/16 ,gaussview windows版本安装包 (0/1128) sdlymzb1987 2020-09-19 2020-09-19 09:24:22 by sdlymzb1987
[其他] Frontier Orbitals A Practical Manual (7/677) hakuna 2014-10-01 2020-09-18 12:15:47 by disguiseme
[Gaussian] Irc 10 (1/640) 单单单1234 2020-09-16 2020-09-17 11:03:10 by paramecium86
[Gamess/ ] 求助关于Q-chem 输入文件中$cdft部分的理解 20 (0/1633) youxx189 2020-09-15 2020-09-15 09:50:02 by youxx189
[Gaussian] [已完结][关贴]求Gaussian,Gaussianview Windows版本安装包,谢谢 (0/598) 爱睡的胖子 2020-09-15 2020-09-15 01:08:47 by 爱睡的胖子
[Gaussian] 计算有机荧光分子的吸收光谱和发射光谱 20 (1/815) 合合?合 2020-09-14 2020-09-14 23:36:58 by paramecium86
[其他] Maestro软件卸载后无法重新安装怎么办 10 (0/612) 帅帅在路上 2020-09-13 2020-09-13 18:32:21 by 帅帅在路上
[Gaussian] Gaussian计算优化问题求助 100 (1/1271) gougaozhan 2020-09-12 2020-09-12 15:13:06 by paramecium86
[Gaussian] 求助理论计算 (37/1127) 紫罗兰2 2020-09-07 2020-09-11 07:30:01 by 美好2020
[Gaussian] [已完结][关贴]求Gaussian和Gaussianview的win7版本 (0/645) GOATCR7 2020-09-10 2020-09-10 16:03:23 by GOATCR7
[Gaussian] [已完结][关贴]求助Linux版的Gaussview 06 急需谢谢 (0/478) s63712006 2020-09-08 2020-09-08 23:36:57 by s63712006
[其他] [已完结]碳点 (2/1078) 鹿跑跑 2020-05-10 2020-09-08 20:53:02 by 芒果加冰
[Gaussian] 计算中自旋多重度的选择的疑惑 新手求助 15 (5/3057) simiamest 2020-09-05 2020-09-07 20:38:42 by simiamest
[Gaussian] 【资源】gaussian简易教程    ( 1 2 3 4 5 6 .. 7 ) (311/16246) smg_syliu 2011-02-25 2020-09-07 14:50:37 by LORD5898
[Gaussian] [已完结][关贴]有兄弟有gaussianview5.0安装包吗? (0/519) 我爱科研1206 2020-09-07 2020-09-07 10:48:21 by 我爱科研1206
[Gaussian] L510错误 10 (4/1196) 温阿温i 2020-09-05 2020-09-05 18:13:42 by 温阿温i
[Gaussian] 如何用DFT方法计算化合物的核磁谱图 10 (1/1048) starskyyy 2020-09-05 2020-09-05 14:15:37 by paramecium86
[量化新手 ] 构象搜索    ( 1 2 ) 30 (10/3763) sophie丁 2020-07-31 2020-09-04 22:56:51 by sophie丁
[Gaussian] 用ONIOM关键词算吸收,请问可以看分子轨道吗?    ( 1 2 3 ) 10 (21/3915) youxx189 2020-06-21 2020-09-04 12:12:16 by paramecium86
[量化新手 ] 请教,关于赖文的《量子化学》版次问题 50 (2/785) ncomm 2020-09-02 2020-09-04 07:48:43 by ncomm
[Gaussian] [已完结]用gaussian计算原子ESP或RESP电荷,如何指定原子半径? (2/2655) lalasiji 2015-10-14 2020-09-03 16:32:01 by 红掌拨
[Gaussian] 没有核磁共振屏蔽张量,所以没有自旋旋转常数? 8 (1/1500) 小红花666 2020-09-03 2020-09-03 13:21:29 by paramecium86
[Gaussian] 优化轨迹 5 (1/579) 单单单1234 2020-09-02 2020-09-03 00:38:52 by paramecium86
[Gaussian] IRC路径 5 (4/1567) 单单单1234 2020-09-02 2020-09-02 15:42:43 by 单单单1234
[个人文集] 精华II【neweroica个人文集】原创程序 vaspmo (v0.0) ――可视化VASP的分子轨道    ( 1 2 3 4 ) (188/23322) neweroica 2010-01-25 2020-09-02 09:39:17 by 李显龙阿斯顿
[其他] 元素周期表(适合打印)    ( 1 2 3 4 ) (191/15797) oyljw 2012-08-19 2020-09-02 07:38:55 by mahl05
[量化图形 ] 求助蓝磷blue phosphorus和绿磷green phosphorus的cif文件 10 (0/1324) sunjie_1018 2020-08-31 2020-08-31 14:27:43 by sunjie_1018
[个人文集] 弱作用力的修正和第一性原理计算有哪些本质区别? (1/715) shuligaoshou 2020-08-30 2020-08-31 08:37:29 by 含能材料
[量化新手 ] CI和CIS方法有区别么?还是说“耦合簇方法和单电子耦合簇方法”基本是一个意思? (1/1205) shuligaoshou 2020-08-29 2020-08-29 10:34:40 by paramecium86
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