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[热点] RSC ADV状态问题 liukun2436 2025-12-06 刚刚
[量化新手 ] [已完结]求Gaussian09和Gaussionview的linux64版本 (4/1232) meimeihappy 2019-12-25 2020-03-28 14:30:09 by paramecium86
[Gaussian] [已完结][关贴]Gaussian软件 (8/1447) 水合二氧化硅 2020-03-05 2020-03-27 23:17:19 by 小李子来也
[Gaussian] [已完结]求一份Gaussian09D版本软件,最好有配套的gaussianview软件,win系统,64位 (2/661) heatgo123 2020-03-25 2020-03-26 21:15:14 by wuwenhao0
[Gaussian] [已完结]求支持老机子CPU的G09E01 linux 64位版 (4/688) bsbpl 2020-03-24 2020-03-25 15:23:21 by bsbpl
[Gaussian] [已完结]求老师指教一下高斯中的 Full Mulliken population analysis及Density Matrix吧 (1/1414) 路路lulu 2015-10-22 2020-03-25 08:09:58 by 柠夏半榭i
[Gaussian] [已完结]电荷陷阱大小 (0/599) pcyfighting 2020-03-24 2020-03-24 11:47:50 by pcyfighting
[Gaussian] [已完结]高斯运算找不到指定文件 (9/3371) 城中木 2015-08-28 2020-03-17 16:39:43 by bixin521
[其他] [已完结]用Gaussian计算分子体积 (2/490) bit2018 2020-03-13 2020-03-13 21:57:15 by 莫落
[Gaussian] [已完结]计算终止,请教大家:g_write (6/1727) cenxueer 2020-03-12 2020-03-13 08:26:37 by cenxueer
[量化图形 ] [已完结]高斯计算转动光谱 (0/841) 山木易石94 2020-03-12 2020-03-12 10:25:33 by 山木易石94
[Gaussian] [已完结]高斯计算转动光谱 (6/2430) B612 2013-06-28 2020-03-12 07:19:09 by 山木易石94
[Gaussian] [已完结]计算机转动常数国际上规定精确到第几位? (7/1073) tudoudigua 2012-08-13 2020-03-12 07:08:16 by 山木易石94
[量化新手 ] [已完结]高斯从头算分子的转动常数 (3/1273) sunxueli87 2012-11-05 2020-03-12 06:55:51 by 山木易石94
[Gaussian] [已完结]求助,如何用校正因子对理论得出的拉曼光谱进行校正, (2/939) 啦擦啦咔嘿 2020-03-10 2020-03-10 10:03:24 by 啦擦啦咔嘿
[Gaussian] [已完结]HOMO-LUMO计算 (0/443) LOTUS_0824 2020-03-06 2020-03-06 10:20:35 by LOTUS_0824
[Gaussian] [已完结]急急急!!!从Gassian 输出文件,读热力学数据 (1/956) 314202528 2011-04-21 2020-03-05 01:39:45 by shiwei0538
[Gaussian] [已完结]基组输入 (2/1058) 水合二氧化硅 2020-03-04 2020-03-04 22:14:03 by paramecium86
[Gaussian] [已完结]求一份gaussian09D版本软件,最好有配套的gaussianview软件 (5/1211) tianmafei 2020-02-08 2020-03-04 14:17:58 by 2572867060
[Gaussian] [已完结]紫外-可见光谱的计算 (3/1776) 水合二氧化硅 2020-03-03 2020-03-04 12:43:04 by paramecium86
[Gaussian] [已完结]高斯跑 irc出现123错误,有人知道怎么解决吗? (9/2126) Meng xf 2019-11-27 2020-03-04 12:36:15 by LiuEve
[Gaussian] [已完结]求高斯view (2/712) Mr_ANZ 2019-11-25 2020-03-03 14:58:28 by 西风youare
[量化新手 ] [已完结]求《计算化学》张常群等编 高等教育出版社 配套光盘资料 (0/551) cmj26000 2020-03-02 2020-03-02 18:05:51 by cmj26000
[Gaussian] [已完结]DFT计算求助 (3/916) xiaofeie 2020-02-14 2020-03-02 10:15:51 by 谁家那小孩
[Gaussian] [已完结]求一个64位的linux版高斯。。。。 (1/504) liuyujun1995 2019-11-12 2020-03-01 03:48:43 by 小小的苗
[量化新手 ] [已完结]高精度量子化学计算软件Molpro 讲习班的ppt (2/902) 小snail1314 2019-02-19 2020-02-27 14:25:01 by 于化龙
[Gaussian] [已完结]求软件 (2/1090) 顺便你吧 2019-04-04 2020-02-27 10:23:02 by 乐山乐水
[ADF/Dal ] [已完结]ADF 在linux上运行错误 (2/938) onlyyou2002 2013-05-31 2020-02-27 07:37:45 by a73405
[其他] [已完结]求Errol G. Lewars的《计算化学——分子和量子力学理论及应用导论》(第二版) (QC强帖+1)(7/1723) zenzhiwen163 2020-02-22 2020-02-23 22:33:39 by paramecium86
[ADF/Dal ] [已完结]求助个关于ADF计算中自旋限制的问题 (3/781) flyheight 2017-12-13 2020-02-21 21:28:35 by 使进学
[量化新手 ] [已完结]求Gaussian 09 (4/1000) 笑天竹123 2019-10-29 2020-02-19 12:33:21 by 染雨曦Tom
[Gaussian] [已完结]高斯qst2计算Helicene手性翻转过渡态(M-P)出错 (3/1978) X教授 2017-03-31 2020-02-18 21:11:38 by adhuyun
[Gaussian] [已完结]求资源gaussian09d.01 linux 64位版本,或者E版本 (9/1822) fanyi29379 2019-07-09 2020-02-16 00:28:18 by paramecium86
[Gaussian] [已完结]怎样进行高斯输入文件的设置 用于计算Wiberg Bond Indices (2/1399) szhshuan 2014-02-27 2020-02-14 13:16:58 by 1556894539
[Gaussian] [已完结]求一份gaussian09版本软件,最好有配套的gaussianview软件 (9/2241) guozhi2009 2019-11-25 2020-02-12 04:43:52 by yupinhua
[Gaussian] [已完结][关贴]求GaussView6的GMMX模块Windows版 (2/1072) mapinyi1989 2020-02-10 2020-02-11 12:51:52 by mapinyi1989
[Gaussian] [已完结]gaussian错误求助 提示硬盘空间不足 (2/1885) 过路人AT 2017-03-22 2020-02-10 20:53:33 by magicrao
[Gaussian] [已完结]g09: command not found (4/2763) neu_1501458 2020-02-09 2020-02-10 07:16:36 by paramecium86
[其他] [已完结]求助conflex安装包或者ORCA安装包 (3/1001) mayaoling 2020-02-07 2020-02-07 23:45:04 by paramecium86
[量化新手 ] [已完结]lippert-mataga公式怎么算的? (2/2810) xzh410512206 2015-09-20 2020-02-07 12:34:37 by 毒毒
[Gaussian] [已完结]求高斯软件for Linux (8/2527) dsal_yan 2015-06-08 2020-02-03 08:48:00 by Nilman
[Gaussian] [已完结]求助Gaussian09 64位的 windows版本 软件 (2/1478) 10yaoxue 2020-01-16 2020-01-16 17:03:04 by paramecium86
[Gaussian] [已完结]有两个个晶体结构,偶极矩怎么算啊 亲们 (1/1504) hou25 2014-10-11 2020-01-15 13:32:33 by 记忆里的阳光
[其他] [已完结]UV-vis中带隙能计算公式中CdTe带隙常数A 值是多少?急!!谢谢 (1/1086) chenhuwish 2012-11-07 2020-01-14 19:42:49 by 耿洪超
[其他] [已完结]基团偶极矩怎么查啊? (0/510) 冷冽424 2020-01-14 2020-01-14 16:59:50 by 冷冽424
[Gaussian] [已完结]gaussian红外光谱研究中的几个百思不得其解的几个问题    ( 1 2 ) (10/2246) lppcvd 2011-10-29 2020-01-14 08:26:08 by 山木易石94
[Gaussian] [已完结]求一个win gauss16和gaussview6 (1/1556) liuyujun1995 2020-01-09 2020-01-09 20:49:16 by janeshen714
[Gaussian] [已完结]高斯计算后,分子轨道怎么看 (3/2841) 忧伤的小猪 2013-09-05 2020-01-09 16:48:53 by zlz123580
[Linux应 ] [已完结]ssh secure shell client (5/1539) 爱吃辣辣 2020-01-06 2020-01-09 15:33:07 by 爱吃辣辣
[量化新手 ] [已完结]求助 (3/666) 二货石头 2020-01-07 2020-01-08 21:51:47 by 二货石头
[其他] [已完结]计算费米能级飘移有什么意义? (0/583) 糕分梓lira 2020-01-08 2020-01-08 21:05:10 by 糕分梓lira
[量化新手 ] [已完结]KS轨道能与HF轨道能的关系 (1/1645) 孝感刘 2015-04-10 2020-01-08 05:15:11 by shuligaoshou
[量化新手 ] [已完结]关于群论的问题 (1/558) yuanqi147 2020-01-07 2020-01-07 22:19:06 by paramecium86
[量化新手 ] [已完结]求助vmd1.8.6 (2/924) 阿白。 2019-12-09 2020-01-07 16:37:43 by rublish
[Gaussian] [已完结]求助 (4/916) 苏格拉没有地 2017-09-01 2020-01-06 14:19:28 by 爱吃辣辣
[其他] [已完结]求助 Quantum Chemistry, Donald A. McQuarrie的练习题解析!! (0/915) 631218064 2020-01-05 2020-01-05 17:27:45 by 631218064
[量化图形 ] [已完结]VMD做分子前线轨道图,相同分子结构在不同前线轨道图中视角相同 (0/653) tongbihai 2020-01-02 2020-01-02 21:58:59 by tongbihai
[Gaussian] [已完结]安装包求资源    ( 1 2 3 ) (24/3832) 幺妹妹 2018-06-10 2020-01-02 14:29:31 by surpise123
[Gaussian] [已完结]求Gaussian PBC合作!!!!! (2/716) guoxu3822650 2019-12-27 2019-12-30 17:20:05 by guoxu3822650
[Gaussian] [已完结]高斯说明书 (2/1036) huoyan7792 2011-04-24 2019-12-30 11:40:36 by xthesea
[Gaussian] [已完结]关于Exciton Binding Energy (2/646) wy11223 2019-11-18 2019-12-29 10:17:48 by kinhboo
[ADF/Dal ] [已完结]ADF图形图形界面出现问题 (1/1115) shasha87 2019-12-13 2019-12-29 09:05:05 by cyfjkf
[ADF/Dal ] [已完结]计算复合物的结合能(bindingenergies) (4/1987) wy11223 2019-11-01 2019-12-28 22:49:29 by Dear波
[量化图形 ] [已完结]利用高斯进行了势能面扫描,为什么把out文件拖到gaussview里无法scan (2/1045) 150csd 2019-12-26 2019-12-28 14:21:27 by 150csd
[其他] [已完结]基于pyton 的chemshell (6/1748) 咿呀咿呀哟1 2019-07-22 2019-12-26 09:59:17 by 我是考研狗
[其他] [已完结]Chemshell 安装 (1/1206) 苏格拉没有地 2019-02-19 2019-12-26 07:32:39 by 我是考研狗
[其他] [已完结]有关阿伦尼乌斯方程    ( 1 2 ) (12/4657) AWQQ111 2014-04-16 2019-12-24 11:43:52 by 10086VIP
[Gaussian] [已完结]求Gaussian09和Gaussionview的linux版本 (3/786) wsxftgb 2019-12-23 2019-12-24 09:53:14 by wsxftgb
[Gaussian] [已完结]求助,如何使用gaussian来计算半导体分子的电子迁移率 (6/1725) mikufan 2019-12-20 2019-12-23 10:52:48 by mikufan
[NBO/AIM] [已完结]请问大家哪里能查到简单醇类化合物的键能? (0/624) 龙天一 2019-12-22 2019-12-22 21:09:06 by 龙天一
[Gaussian] [已完结]关于键能的计算 (3/5497) youkuku 2015-06-12 2019-12-22 18:07:54 by 龙天一
[量化新手 ] [已完结]安装MS8出现错误提示1722,该如何解决    ( 1 2 ) (11/5829) fanhongxiang 2015-12-12 2019-12-20 18:07:40 by lighting5410
[Gaussian] [已完结]求助gaussian软件 (3/673) 光速¥ 2019-11-18 2019-12-20 17:13:24 by hui8023
[Gaussian] [已完结]零点能 (3/1872) 李晓绒 2014-03-13 2019-12-20 16:57:54 by mgfudan
[Gaussian] [已完结]guass (1/773) xiyel 2019-12-18 2019-12-19 03:40:32 by paramecium86
[Gaussian] [已完结]优化 (4/907) CaucLiuSha 2019-12-18 2019-12-18 22:17:10 by paramecium86
[Gaussian] [已完结]BSSE校正出错 (3/1137) feiyang1210 2016-03-21 2019-12-18 19:10:33 by Paradise刘
[Gaussian] [已完结]Linux下guassian内存问题 (3/857) carlin 2011-09-30 2019-12-17 17:05:38 by 541452557
[Gaussian] [已完结]过渡态计算,出现 Error termination via Lnk1e in D:\G09W\l101.exe错误 (6/7175) 严加谨 2017-03-12 2019-12-17 09:00:50 by 药物分析!!
[SAPT/AO ] [已完结]请问谁会使用PSI4软件进行SAPT分析,计算分子间相互作用的不同贡献的能量值。 (1/1512) 卢涛 2018-06-08 2019-12-17 05:46:05 by 呼啦啦boom
[其他] [已完结]请问homo轨道和homo轨道以及lumo轨道能级差怎么计算 (2/5332) AnnaBubbles 2019-12-12 2019-12-16 11:39:25 by shiyongliu
[Gaussian] [已完结]急求苝二酰亚胺(PDI)的介电常数(动态介电常数和静态介电常数)!!! (0/801) 快乐谱 2019-12-13 2019-12-13 22:25:04 by 快乐谱
[Gaussian] [已完结]pbc (0/698) HectorYu 2019-12-13 2019-12-13 12:59:58 by HectorYu
[其他] [已完结]DIRAC18.0安装 (0/461) shasha87 2019-12-13 2019-12-13 12:53:01 by shasha87
[Gaussian] [已完结]pbc (0/480) 王腾2015 2019-12-13 2019-12-13 12:04:50 by 王腾2015
[量化新手 ] [已完结]求一本Supercritical Fluids Fundamentals and Applications(springer 2000) (3/541) 乾坤艮震 2016-01-14 2019-12-13 10:20:46 by lrn076
[Gaussian] [已完结]新手求助 (2/698) llliner1982 2019-12-12 2019-12-12 10:27:03 by llliner1982
[Gaussian] [已完结]CPHF failed to converge in LinEq2.    ( 1 2 ) (11/4266) baoyuan6969 2013-10-07 2019-12-12 07:39:50 by gxy6
[Gaussian] [已完结]福井函数预测反应活性位点 (1/2475) 药物分析!! 2019-12-11 2019-12-12 00:07:23 by paramecium86
[Gaussian] [已完结]Gaussian分析发现fukui函数和Delta G的结果矛盾怎么办? (1/671) 狐小狸123 2019-11-22 2019-12-11 23:21:34 by 药物分析!!
[ADF/Dal ] [已完结]ADF能量分解 (1/1058) 768805354 2014-04-23 2019-12-10 18:00:25 by 313804869
[Gaussian] [已完结]单点能计算关键词如何写? (2/1680) cenxueer 2019-12-07 2019-12-09 09:58:56 by cenxueer
[量化新手 ] [已完结]lobster运行之后killed (0/722) kelly612 2019-12-09 2019-12-09 04:44:02 by kelly612
[Gaussian] [已完结]结构优化和过渡态寻找需要用哪种坐标形式? (2/699) cenxueer 2019-12-06 2019-12-07 18:28:13 by cenxueer
[量化新手 ] [已完结]中文版量子化学理论基础相关书籍 (3/943) tanghuaxue 2019-07-05 2019-12-07 10:57:51 by 康传胜
[Gaussian] [已完结]用高斯求有机物的homo lumo 可以不做频率计算么 (3/978) 孤雁难飞 2019-12-05 2019-12-05 14:54:59 by 孤雁难飞
[Gaussian] [已完结]求助 有没有高斯03的安装包 (1/558) 萌鬼在线 2019-12-05 2019-12-05 13:04:48 by paramecium86
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