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[热点] 211本，11408一志愿中科院277分，曾在中科院自动化所实习 Losir 2026-03-15 刚刚
[Gaussian] 超算中心的账号可以自己安装高斯吗 40 (5/2106) zxy7909 2021-02-03 2021-04-08 12:07:58 by qaz0033
[Gaussian] GaussView中的Show Dipole Derivative Unit Vector有什么样的物理意义 10 (0/700) 2361625042 2021-04-07 2021-04-07 10:32:33 by 2361625042
[Gaussian] [已完结]结构优化的结果分析 (2/1136) wyxka 2021-04-06 2021-04-06 17:03:43 by wyxka
[Turbomo ] 请教高手 怎样并打开 linxu 下的 Turbomole 软件 ？ 10 (0/823) 大力2010 2021-04-06 2021-04-06 16:40:22 by 大力2010
[其他] 能否帮忙排下丙三醇、山梨醇、葡萄糖、蔗糖、脂肪酸钠的极性大小？ 58 (3/1364) chemlaw 2021-03-06 2021-04-02 09:43:43 by chemlaw
[其他] [已完结]求助书籍：赖文《量子化学》第七版PDF版，Quantum Chemistry 7th ed by Levine (5/3778) 王绍岩 2019-12-23 2021-04-02 07:56:26 by xiaohuangw
[Gaussian] 光照下闭环到开环的反应，怎么正确地找到单重激发态的过渡态？ 20 (3/1799) sealanlan 2021-03-20 2021-04-01 00:21:37 by sealanlan
[Gaussian] 求G09 E01Win版本安装包 44 (2/964) 往南123 2021-03-29 2021-03-29 09:37:49 by muzhong242
[其他] BMIMPF6 计算homo和lumo时遇到问题，求助 10 (0/646) hhxxjh123 2021-03-28 2021-03-28 17:48:45 by hhxxjh123
[Gaussian] 求一份windows 10操作系统的gaussview 15 (5/1810) lymyan 2020-11-26 2021-03-23 20:00:55 by 628708089
[Gaussian] irc路径问题 10 (2/1641) 单单单1234 2021-03-18 2021-03-20 20:55:00 by 单单单1234
[Gaussian] [已完结][关贴]求助gaussian16 linux版的安装包 (0/1070) asdwsx125 2021-03-20 2021-03-20 16:49:14 by asdwsx125
[量化图形 ] VMD 20 (0/729) 冲鸭66666 2021-03-19 2021-03-19 01:24:38 by 冲鸭66666
[量化图形 ] 求助Gaussian16 windows版的软件包 5 (1/1309) 橙子93爱你 2021-03-18 2021-03-18 13:04:32 by paramecium86
[Gaussian] 如何用gaussian view 给每个原子设定不同的基组 5 (1/1725) YXMivy 2021-03-16 2021-03-16 11:32:41 by paramecium86
[Gaussian] [已完结][关贴]求资源gaussian09d.01 linux 64位版本 (0/700) xiong.li0903 2021-03-13 2021-03-13 09:34:39 by xiong.li0903
[Molpro/ ] molpro计算势能面雅克比坐标系问题 50 (0/768) gaoshenmo 2021-03-12 2021-03-12 21:11:33 by gaoshenmo
[Gaussian] Gview不能显示优化步骤 10 (1/1403) 杺儿丫 2021-03-06 2021-03-06 15:51:24 by paramecium86
[量化新手 ] 反应速率常数变化异常是为什么呢？ 5 (3/2100) 单单单1234 2021-03-02 2021-03-05 11:08:31 by 单单单1234
[Gaussian] [已完结]cc-pwCVTZ-PP基组 (6/2206) gscn 2021-02-04 2021-03-04 15:32:29 by gscn
[Gaussian] [已完结]求windows 10操作系统的高斯09软件和配套的gaussview    ( 1 2 ) (13/3435) xg1987 2020-02-25 2021-03-04 13:16:18 by yxyyxn000
[量化新手 ] 想了解一下集群里面的一些概念比如说节点CPU啥的 100 (1/1179) aweiaaaa 2021-03-03 2021-03-03 19:07:51 by paramecium86
[Multiwfn] HOMO-LUMO gap是负值 50 (6/3461) 1240906hs 2021-02-23 2021-03-03 04:16:24 by paramecium86
[Gaussian] [已完结]求windows 10操作系统的高斯09软件和配套的gaussview (6/1656) tianmafei 2020-02-11 2021-03-02 14:08:23 by 408858154
[Gaussian] [已完结]求助---高斯计算锂离子的单点能 (6/3161) lp00 2021-02-28 2021-03-02 09:53:02 by lp00
[Gaussian] Gaussian适合算高分子PTFE和氢离子的吸附情形吗 10 (2/1186) 蓝蝶梦 2020-07-10 2021-03-01 17:10:30 by 蓝蝶梦
[Gaussian] 急，常见有机分子HOMO位置是随溶液pH变化？ 30 (1/729) 异形杀手 2021-01-24 2021-02-28 16:26:13 by 卡开发发
[Gaussian] gaussian计算HOMO/LUMO轨道上电荷分布求助 8 (1/1509) 星禾2 2021-02-28 2021-02-28 15:52:41 by paramecium86
[Gaussian] Gaussian 16输出文件转换 20 (3/3286) 白日做梦3 2021-02-27 2021-02-27 15:22:01 by paramecium86
[ADF/Dal ] 求adf软件 100 (0/942) luqing6879 2021-02-26 2021-02-26 07:17:14 by luqing6879
[Gaussian] 算完之后frequency列表显示为空，请问这是怎么回事呢？ 20 (1/577) lab148 2021-02-25 2021-02-25 15:48:06 by paramecium86
[Gaussian] 请教一下比较分子能量时候考虑负号吗？ 5 (3/3351) iamlongwei 2021-02-18 2021-02-19 04:35:27 by paramecium86
[ChemOff ] Chem3D运行Gamess预测红外图谱没反应咋回事呀 10 (3/3233) 颜朽儿 2020-10-10 2021-02-18 12:01:44 by h2o_360
[Multiwfn] 有关态密度图求助 5 (1/1056) 单单单1234 2021-01-21 2021-02-07 11:27:10 by 阿di达思
[Gaussian] 溶剂模型 5 (1/1376) go爱国者导弹 2021-02-06 2021-02-06 20:17:30 by paramecium86
[Gaussian] [已完结][关贴]求gaussian 09 linux 64 位安装包 (2/1124) dxyan 2021-01-30 2021-01-30 23:08:41 by dxyan
[其他] 画图 10 (1/778) 2441408785 2021-01-27 2021-01-27 22:08:24 by 598878157
[Gaussian] 关于Mayer键序计算问题 10 (3/1613) 单单单1234 2021-01-21 2021-01-23 05:38:38 by paramecium86
[Gaussian] 刚开始学习高斯，按教程做了一个计算，gaussian计算卡在了l103就一直没有进度了，求助 5 (1/1655) kiruwa12 2021-01-18 2021-01-18 20:52:18 by paramecium86
[Multiwfn] 文件类型转换求助 10 (5/1670) 单单单1234 2021-01-14 2021-01-18 00:09:34 by 单单单1234
[Gaussian] Gaussian计算出现多个freq是负数，虚频怎么办 30 (3/1665) afko9138 2020-12-14 2021-01-06 09:49:06 by lkhy
[Gaussian] [求助] 求助windows版Gaussian软件 和Gview06软件各一份 20 (1/1043) huilaoshu998 2020-12-20 2021-01-06 09:45:47 by lkhy
[Gaussian] 已知化合物的晶体结构及数据，想进行化学计量学的计算？有偿求助！！！ 100 (0/547) lhqtcm 2021-01-04 2021-01-04 21:19:45 by lhqtcm
[Gaussian] 求助 10 (1/716) ZHY.. 2020-12-31 2021-01-02 16:56:17 by paramecium86
[Gaussian] [已完结]Gaussian16怎么用PBE0-D3 (1/2250) afko9138 2020-12-24 2020-12-25 03:41:24 by paramecium86
[Gaussian] [已完结]求教怎么判单我这种金属配合物的电荷？ (1/1172) z472673893 2020-12-24 2020-12-24 20:05:47 by paramecium86
[Gaussian] [已完结]求推荐DFT计算80个原子的金属锌配合物所有的方法 (1/695) afko9138 2020-12-23 2020-12-23 03:49:01 by paramecium86
[Gaussian] [已完结][关贴]求助Gaussian16 linux 64安装包 (0/659) 花生米+番茄 2020-12-18 2020-12-18 13:19:48 by 花生米+番茄
[SAPT/AO ] 请问有谁知道对一些包含碘原子或Xe原子的分子团簇进行SAPT分析的输入文件格式？ 100 (0/665) 卢涛 2020-12-17 2020-12-17 15:09:01 by 卢涛
[其他] [已完结]请问谁有pymol能发给我你下吗，多谢 (8/2228) 萌鬼在线 2019-12-14 2020-12-16 11:56:44 by 孤狼1
[Gaussian] [已完结]求助 (7/1171) 双马尾即正义 2020-12-15 2020-12-15 20:12:32 by paramecium86
[Gaussian] [已完结]求问出现link died (1/1443) afko9138 2020-12-12 2020-12-12 04:54:04 by paramecium86
[Gaussian] M062X/def2TZVPP怎么选呢？初次用高斯，自学。拜谢！ 25 (1/2262) 我勒个去去去 2020-12-11 2020-12-11 16:21:23 by paramecium86
[Gaussian] 结构优化和单点能 5 (0/743) 橙子?? 2020-12-10 2020-12-10 11:22:21 by 橙子??
[Gaussian] [已完结]怎么用Gaussian算反应过程中过渡态中间体等能量的变化 (1/944) afko9138 2020-12-09 2020-12-09 20:38:00 by paramecium86
[量化新手 ] 文献下载 5 (0/815) cs2264 2020-12-08 2020-12-08 08:13:58 by cs2264
[Gaussian] [已完结]高斯自带例子 (1/772) cgzhong 2020-12-08 2020-12-08 02:54:55 by paramecium86
[Gaussian] PSA计算 5 (0/551) 药丸加? 2020-12-07 2020-12-07 22:25:54 by 药丸加?
[Gaussian] [已完结][关贴]求linux 版本gaussian G09 安装包l (1/717) 加纳岛精灵 2020-12-07 2020-12-07 20:52:45 by 梧桐77
[Gaussian] [已完结][关贴]求一份gaussian 09 e以上的版本 多谢了 win 或者 linux都可以 (0/523) eshenyeshen 2020-12-02 2020-12-02 11:05:53 by eshenyeshen
[Gaussian] [已完结]使用TS获得过渡态，虚频数值与文献能对上，但是虚频振动方面相反，求助！ (4/1295) 学员0l2Mkk 2020-11-21 2020-11-27 21:07:48 by JDCooper
[Gaussian] 高斯计算 100 (1/733) 忱心羲梦 2020-11-24 2020-11-24 18:19:54 by wzhsun
[Gaussian] [已完结][关贴]求64位linux版 Gaussian09 D安装包，谢谢！ (0/594) wt00000110 2020-11-23 2020-11-23 15:15:24 by wt00000110
[Gaussian] 二维柔性扫描遇到的问题 13 (0/792) myw123456 2020-11-17 2020-11-17 09:03:45 by myw123456
[Gaussian] [已完结]柔性扫描的result结果怎么找到 (1/1544) myw123456 2020-11-16 2020-11-16 13:25:35 by paramecium86
[量化新手 ] polyrate中ifreq设置 6 (0/878) 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 (3/1035) 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？ (6/2793) 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 (0/910) Shirley0313 2020-11-13 2020-11-13 15:45:15 by Shirley0313
[Gaussian] 高斯计算能量 5 (0/1160) 1996lyn 2020-11-11 2020-11-11 15:54:48 by 1996lyn
[ADF/Dal ] [已完结]ADF的ReaxFF报错：mpirun: Drive is not a network mapped - using local drive. (2/2269) 313804869 2019-12-10 2020-11-08 20:49:13 by suncener
[ADF/Dal ] [已完结][关贴]求gaussian09d.01 linux 64位版本软件包，万分感谢！！！ (0/709) 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 (3/1250) sealanlan 2020-10-22 2020-11-07 22:46:09 by wolfzhong
[Gaussian] [已完结][关贴]求Gaussion03或09软件，答谢 (0/586) njuchemrabbit 2020-11-06 2020-11-06 10:06:08 by njuchemrabbit
[Gaussian] 求个G16 avx版 50 (0/885) 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？ (5/2525) sealanlan 2020-10-30 2020-11-01 17:12:34 by paramecium86
[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 (1/1586) 莫吉托 2020-10-29 2020-10-30 01:28:54 by paramecium86
[Gaussian] [已完结]求资源chemcraft (5/1758) tianmafei 2020-02-16 2020-10-24 23:11:51 by funny1dog
[Gaussian] 自旋密度绘制 5 (1/754) wllneedlearn 2020-10-22 2020-10-23 12:39:43 by paramecium86
[ChemOff ] Chem3d怎么和gaussian连接？ 60 (0/1248) ....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 (5/2171) xiapin 2020-10-15 2020-10-22 23:56:40 by xiapin
[Turbomo ] 哪位有 Turbomole 教程 求分享 10 (0/1135) 大力2010 2020-10-22 2020-10-22 10:58:47 by 大力2010
[量化新手 ] [已完结]分子的基频振动频率怎么算？ (2/2904) 白随风 2020-07-23 2020-10-20 12:00:59 by 白随风
[Gaussian] [已完结][关贴]求guassian和guassian view 资源 (0/466) 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！ (1/1144) smayday 2020-10-08 2020-10-08 01:18:19 by 胡竹峰
[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？ (0/801) 一枚子 2020-10-07 2020-10-07 17:51:00 by 一枚子
[Gaussian] [已完结][关贴]求gaussian09 linux64位版本 (0/625) 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 (5/1218) 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 ) (22/3505) lymyan 2019-12-02 2020-10-06 17:09:53 by 薄凉月左、
[Gaussian] 溶剂环境下计算小分子配合物荧光发射的振荡问题 10 (1/1574) simiamest 2020-10-04 2020-10-04 18:29:39 by beefly
[量化新手 ] 求助 6 (0/756) big rain 2020-10-03 2020-10-03 13:17:59 by big rain
[Gaussian] 高斯输出文件各部分参数的含义 20 (2/1363) 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 (1/1489) 温阿温i 2020-09-30 2020-09-30 10:06:49 by paramecium86
[Gaussian] [已完结][关贴]求Gaussian09 ,gaussview windows版本安装包 (0/591) 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， (0/566) 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） (4/1581) hee_csu 2020-09-27 2020-09-28 11:08:22 by paramecium86
[其他] 求助 6 (0/478) big rain 2020-09-27 2020-09-27 22:02:43 by big rain
[Gaussian] 计算新手_电荷和多重度问题 20 (1/855) 18235483428 2020-09-23 2020-09-23 22:59:06 by paramecium86
[Gaussian] [已完结]QTS2运行时停留在L103 (1/863) gscn 2020-09-23 2020-09-23 22:29:42 by paramecium86
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