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[热点] 拟解决的关键科学问题还要不要写 xps5000 2026-01-22 刚刚
[量化新手 ] 科顿群论在化学中的应用第三版习题答案    ( 1 2 ) (77/3521) changlin08 2014-11-23 2020-08-20 18:35:40 by langdayazi
[Gaussian] 命令错误求助 5 (1/667) 温阿温i 2020-08-20 2020-08-20 14:30:31 by paramecium86
[Gaussian] Gaussian版权问题 10 (3/2587) wangyinran 2020-08-15 2020-08-19 16:55:33 by wbingxin2012
[Gaussian] 新人求助Linux集群下gaussian使用 50 (3/685) 海人1213 2020-08-19 2020-08-19 16:16:03 by 天天进步啊
[Gaussian] [已完结]稀土镧配合物,TD-DFT报错求助! (5/1502) simiamest 2020-06-30 2020-08-18 21:45:39 by 15225685632
[Gaussian] [已完结]急求linux64 Gaussian09 E01版本 (4/1371) sparkhsl 2019-06-12 2020-08-18 21:44:32 by hekaiseraph
[Gaussian] 优化结构问题 5 (1/662) 单单单1234 2020-08-18 2020-08-18 20:52:20 by paramecium86
[Gaussian] [已完结]Gaussian模拟表面增强拉曼光谱 (6/1881) razasky 2019-08-22 2020-08-16 07:54:00 by 主角
[Gaussian] gaussview转动二面角 8 (1/1209) ljh06 2020-08-15 2020-08-15 11:11:47 by paramecium86
[Gaussian] [已完结]重求g16或者g09 D01,前一个帖子只找到B01 (8/1707) notany 2020-02-17 2020-08-14 08:54:18 by fineren
[Gaussian] 铂催化的氢化加成反应过渡态计算 20 (4/1273) Fieen 2020-08-12 2020-08-13 16:40:45 by Fieen
[Gaussian] 求教高斯 5 (3/1740) 良家少年! 2020-08-13 2020-08-13 15:31:11 by paramecium86
[Turbomo ] [已完结]生成cosmo文件后导入cosmotherm报错 (4/1975) 小白如水 2012-03-02 2020-08-12 17:49:20 by skyang
[量化图形 ] Origin软件安装哪个版本比较好用 10 (0/2539) 帅帅在路上 2020-08-12 2020-08-12 09:48:19 by 帅帅在路上
[Gaussian] [已完结]求助Gaussian09计算HOMO-LUMO 和 三重态,单重态 △E ST (8/2416) zzyuss 2020-08-10 2020-08-11 15:50:32 by zzyuss
[Gaussian] [已完结][关贴]求Linux版Gaussian 16安装包,非常感谢 (0/1699) 护发专家 2020-08-11 2020-08-11 12:16:44 by 护发专家
[Gaussian] Linux系统Gaussian教程    ( 1 2 ) 10 (10/1828) 悸愀忆 2020-07-04 2020-08-11 12:02:42 by lyl453433939
[其他] [已完结][关贴]求windows系统的GaussView5 (0/464) 何吟 2020-08-10 2020-08-10 18:08:56 by 何吟
[量化新手 ] 求Origin软件安装包及使用教程 50 (1/678) 帅帅在路上 2020-08-10 2020-08-10 16:32:40 by 呆子磊
[Gaussian] [已完结][关贴]求高斯view 6.0安装包及安装使用教程 (0/959) 帅帅在路上 2020-08-10 2020-08-10 15:35:28 by 帅帅在路上
[Gaussian] 求大神指导高斯 10 (3/1472) 良家少年! 2020-08-09 2020-08-10 11:42:01 by paramecium86
[其他] 为什么在咱们量化领域,以ex开头的单词,统统缩写为x而不是e? (5/2053) 鱼妃 2012-08-21 2020-08-09 13:43:08 by beefly
[Gaussian] 求助怎么计算S1和T1的能量差 5 (1/2265) li444169778 2020-08-09 2020-08-09 04:52:30 by paramecium86
[Gaussian] 多谢帮忙!!!钾离子体积计算求助 50 (2/914) 浅暄深默 2020-08-05 2020-08-07 15:04:39 by 浅暄深默
[Multiwfn] 计算氢键作用 10 (2/1075) 0630cxw123 2020-07-24 2020-08-07 12:31:06 by spectorno11
[Gaussian] 麻烦帮忙计算下 15 (1/494) mayaoling 2020-08-07 2020-08-07 07:15:26 by mayaoling
[其他] Methods of Molecular Quantum Mechanics    ( 1 2 ) (55/2459) pkusiyuan 2015-02-28 2020-08-07 01:50:28 by ljb197211
[Gaussian] [已完结]计算出错 (4/647) mayaoling 2020-08-05 2020-08-06 18:22:05 by mayaoling
[SAPT/AO ] (PSI4下载)PSI4-1.3.2-py36-Linux-64位安装程序下载 (评阅+10) (1/1690) muzhong242 2020-02-19 2020-08-06 16:06:53 by LiuEve
[Gaussian] Gaussian09 D.01 用户手册 (400 dpi)度盘分享(更新OCR版本)    ( 1 2 ) (55/3383) gxuzld 2016-01-23 2020-08-06 10:44:58 by wangwenju
[文章故事] 量子化学综述 (5/1235) 18766315007 2018-01-06 2020-08-06 08:26:34 by xuhu_11
[量化图形 ] 【教程】去掉GaussView5.08启动警告窗口的解决方案 (14/1601) longwen36 2013-07-29 2020-08-05 18:24:41 by 一条君
[其他] 求助实验的CD数据是txt文本文档格式的 4 (1/556) mayaoling 2020-08-05 2020-08-05 05:41:48 by hollya
[Gaussian] [已完结]求助计算ECD时 (4/1011) mayaoling 2020-08-04 2020-08-04 17:22:50 by mayaoling
[Gaussian] [已完结]请问高斯组合方法如何跳过结构优化这一步 (4/1242) 护发专家 2020-08-02 2020-08-04 14:21:30 by 护发专家
[其他] [已完结]麻烦问下做ECD计算时 (1/625) mayaoling 2020-08-04 2020-08-04 12:36:55 by paramecium86
[个人文集] 【小卒个人文集】你的分子,如果让我来搭建初始构型,我会怎么办    ( 1 2 3 ) (评阅+10) (QC强帖+1)(27/2930) yjcmwgk 2010-06-16 2020-08-04 12:35:53 by 悸愀忆
[Gaussian] 【资源】申请免费的中科院超算中心深腾7000计算账户和计算机时    ( 1 2 ) (评阅+2) (15/2363) Miracle922 2010-07-08 2020-08-04 11:54:34 by 静静地潜水
[Gaussian] [已完结]计算时家里停电了 (1/672) 发亮浓密 2020-08-04 2020-08-04 08:29:16 by paramecium86
[其他] 求助homo-lumo能带隙测量和计算方法 5 (4/1920) 17314358965 2020-07-17 2020-08-04 08:26:48 by 17314358965
[Gaussian] 算能量转移,输入文件中oniom和EET关键词怎么写? 10 (1/1327) youxx189 2020-07-29 2020-07-31 14:15:57 by youxx189
[Gaussian] 计算超精细耦合常数 16 (4/1707) 1259483770 2020-07-07 2020-07-31 10:05:06 by PDMS薄膜
[Gaussian] 求助Exporing Chemistry With Electronic Structure Methods 20 (1/521) Peter Lee 2020-07-30 2020-07-30 21:30:33 by paramecium86
[Gaussian] [已完结]求Gaussian09,gaussview window版本安装包    ( 1 2 ) (13/2761) 可米kemi 2020-03-22 2020-07-30 07:25:46 by 荆棘路上
[Gaussian] 国内高校老师自己开发的科学程序进行汇总介绍, 10 (1/693) wangya 2020-07-29 2020-07-29 18:12:12 by 茕茕恭煮
[Gaussian] 在算能量转移时,.log文件报错,请教一下如何改 10 (0/652) youxx189 2020-07-28 2020-07-28 18:39:18 by youxx189
[其他] 【求助】at%和wt%怎样转换? (5/8184) 文明8937 2010-11-09 2020-07-28 13:33:08 by YaleYou
[个人文集] 从量子化学图形解读分子间π-π相互作用    ( 1 2 3 4 5 6 .. 7 ) (334/15991) zhou2009 2011-05-19 2020-07-28 09:59:01 by nyzty
算了3天,一个比较大的结构(分子量2300)基于S0的DFT计算报错,求助有什么办法应对? 10 (4/1489) simiamest 2020-07-23 2020-07-27 09:46:33 by 李在弦
[Gaussian] [已完结]求助高斯计算时不下心退出了, (3/1738) mayaoling 2020-07-26 2020-07-27 07:54:44 by paramecium86
[其他] 几本计算化学编程有关书籍(课件)放送 (35/3424) 寒雨人生 2014-03-28 2020-07-26 06:57:47 by yqlong
[NBO/AIM] [已完结][关贴]求一个nbo5.0的程序,用来计算共振结构式的比例 (2/980) avatar_man 2020-07-20 2020-07-25 16:43:33 by avatar_man
[Gaussian] [已完结]Gaussian 手册 (1/2203) tangyuanlisa 2016-03-12 2020-07-25 10:37:54 by 韩员力
[量化新手 ] [已完结][关贴]跪书量子化学计算的Spartan 14 v1.1.4软件安装包 (0/1427) 帅帅在路上 2020-07-24 2020-07-24 20:18:18 by 帅帅在路上
[Gaussian] [已完结]分子结构优化之前如何扫描 (8/2157) yangyue5678 2020-07-21 2020-07-24 20:13:06 by paramecium86
[量化新手 ] core−valence corrections核-价校正具体指什么?怎么做? 10 (0/1583) 白随风 2020-07-24 2020-07-24 17:13:04 by 白随风
[Gaussian] [关贴]求Gaussian09的linux,64位安装包 (1/501) 墨菲定律00 2020-07-24 2020-07-24 08:51:09 by Tianyu189
[Gaussian] 热力学计算软件 15 (6/1044) 雨后春笋! 2020-07-23 2020-07-24 08:09:46 by miaojiabing
[Gaussian] [已完结]G09 安装 段错误 (1/3116) cquccc 2011-10-10 2020-07-23 21:52:52 by sealanlan
[Gaussian] 红外光谱模拟与实验对照 (3/851) (Katy) 2020-07-22 2020-07-23 16:28:18 by (Katy)
[其他] PEDOT(不是PEDOT:PSS)的LUMO和HOMO是多少? 10 (0/882) 彩虹之约123 2020-07-23 2020-07-23 08:23:29 by 彩虹之约123
[Gaussian] 投票:  【讨论】为什么选计算化学    ( 1 2 3 4 5 6 .. 15 ) (评阅+2) (142/14681) sunlong650 2010-06-24 2020-07-22 19:38:17 by ??菲
[其他] qcisd进行IRC计算时,如何输入关键词 (4/1104) zhangweic 2020-07-22 2020-07-22 14:32:18 by zhangweic
[Gaussian] [已完结]求助溴负离子的能量计算报错完成不了问题 (1/1144) 安之先生 2020-07-22 2020-07-22 13:24:42 by paramecium86
[Gaussian] [关贴]求windows 10操作系统的高斯09软件和配套的gaussview 20 (1/1066) 微笑过后wjm 2020-07-14 2020-07-22 09:15:11 by sealanlan
[Gaussian] 高斯版权问题 (1/1158) wangyinran 2020-07-21 2020-07-21 17:38:59 by Nilman
[Gaussian] gaussian原子掺杂问题 15 (0/1783) Dft-Y 2020-07-21 2020-07-21 10:28:21 by Dft-Y
[Gaussian] [已完结]gaussview里想要应用M06-2X泛函怎么办 (2/2919) yangyue5678 2020-07-20 2020-07-20 21:07:50 by paramecium86
[Gaussian] 急!求gaussian09 X64 的 windows安装包 200 (0/543) gca1983 2020-07-20 2020-07-20 16:51:00 by gca1983
[Gaussian] 求win版gaussian16 10 (1/1616) Laomanman 2020-07-11 2020-07-18 22:39:55 by 爱吃辣辣
[Gaussian] 求助单茂金属配合物的过渡态,茂环不旋转的问题 100 (3/1213) wangyinran 2020-07-17 2020-07-18 01:23:04 by paramecium86
[量化新手 ] [已完结]分子后面加(2Σ+)符号表示什么意义 (7/3487) 白随风 2020-07-16 2020-07-17 15:38:50 by 白随风
[量化图形 ] 反应能垒图中的曲线如何绘制 10 (2/4220) liujodan 2020-06-30 2020-07-16 23:33:58 by liujodan
[量化图形 ] 求一个VMD WIN193 100 (2/1095) 海人1213 2020-07-16 2020-07-16 21:31:42 by 海人1213
[其他] 又缺金币了,再卖点书:对称性原理    ( 1 2 ) (51/3195) yjcmwgk 2014-05-15 2020-07-16 06:53:30 by 东方玉卿
[Gaussian] 自旋多重度 (1/2470) 单单单1234 2020-07-15 2020-07-16 01:01:58 by paramecium86
[Gaussian] 高斯算湿RH的关键词 100 (1/558) nis苯甲酸 2020-07-15 2020-07-15 23:29:40 by paramecium86
[Gaussian] 高斯view不能同时显示optimization和vibration 10 (1/3448) sunlusunlu 2020-07-15 2020-07-15 23:25:09 by paramecium86
[其他] 薛定谔方程求解 10 (1/703) Lh725 2020-07-15 2020-07-15 20:40:58 by oyljw
[Gaussian] Gaussian03w亲测可用 (21/3577) chr0247 2013-08-27 2020-07-15 18:38:45 by lessingzc
[其他] 氢键和卤键 (7/740) 还好有我 2020-07-14 2020-07-15 15:00:00 by 还好有我
[Gaussian] [已完结][关贴]急求Linux版64位Gaussian16与Gaussview6.0安装包 (0/1373) sxhuo 2020-07-15 2020-07-15 12:48:49 by sxhuo
[Gaussian] 请问Gaussian 09 的运行环境? (3/1162) roc1234 2020-07-08 2020-07-14 16:22:34 by nssbyssc
[其他] 求书 5 (0/312) 大爱折耳根 2020-07-14 2020-07-14 09:36:17 by 大爱折耳根
[Gaussian] 计算超精细耦合常数 13 (8/2183) 1259483770 2020-07-07 2020-07-14 08:38:51 by PDMS薄膜
[量化新手 ] 硫化锌量子点 (4/1817) wule1023 2014-10-18 2020-07-13 08:29:53 by 雪桐
[Gaussian] [已完结]linux gaussian能让计算暂停吗? (6/3713) nyzhaoyin 2012-01-16 2020-07-13 07:21:23 by 银戒指
[HyperCh ] 利用HyperChem软件计算LOMO和HOMO的能量值 18 (0/815) ch~无问西东 2020-07-09 2020-07-09 16:42:24 by ch~无问西东
[量化新手 ] 红外光谱问题 10 (2/1911) 李晶嘻嘻 2020-06-19 2020-07-09 11:23:15 by wzhsun
[Gaussian] [已完结]求助------Error termination in NtrErr 错误 (3/1668) aaq2800 2020-07-08 2020-07-09 09:08:16 by aaq2800
[Gaussian] gaussian成键类型判断 10 (1/1166) Dft-Y 2020-07-08 2020-07-08 12:56:18 by paramecium86
[Gaussian] [已完结]求助各位前辈,linux系统gaussian输出结果只有log,请问怎么才能得到chk文件 (5/2926) 护发专家 2020-07-05 2020-07-08 08:52:06 by 护发专家
[Gaussian] [已完结][关贴]求Linux版gauss 16一个 多谢多谢 (0/496) lithium_u 2020-07-07 2020-07-07 20:04:52 by lithium_u
[Gaussian] [已完结][关贴]求助软件资源g09-E01 linux64,邮箱744271622@qq.com (0/427) CyclonLi 2020-07-07 2020-07-07 16:10:16 by CyclonLi
[Gaussian] [已完结][关贴]求助Gaussian 和Gaussian view安装包,多谢! (0/1067) 郭木偶 2020-07-07 2020-07-07 00:02:23 by 郭木偶
[量化图形 ] chemcraft key, 拷贝粘贴即可 (7/3081) kekexili_08 2013-10-31 2020-07-06 15:53:42 by timesmell
[Gaussian] [已完结][关贴]求助Gaussian09 E.01 linux 64安装包 (0/633) 花生米+番茄 2020-07-06 2020-07-06 10:31:45 by 花生米+番茄
[其他] 计算材料科学的现状    ( 1 2 ) (61/6376) 270000682 2012-07-13 2020-07-05 11:33:15 by henuboy
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