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[热点] 求助:我三月中下旬出站,青基依托单位怎么办? 愚人船 2026-01-12 刚刚
[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, (2/959) 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 (0/450) 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 (1/974) 314202528 2011-04-21 2020-03-05 01:39:45 by shiwei0538
[Gaussian] [已完结]基组输入 (2/1082) 水合二氧化硅 2020-03-04 2020-03-04 22:14:03 by paramecium86
[Gaussian] N2O分子结构 (2/703) woshitai 2020-03-04 2020-03-04 20:24:25 by woshitai
[Gaussian] [已完结]求一份gaussian09D版本软件,最好有配套的gaussianview软件 (5/1237) 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 (3/1792) 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? (9/2269) Meng xf 2019-11-27 2020-03-04 12:36:15 by LiuEve
[Gaussian] [已完结]求高斯view (2/726) 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 (0/563) cmj26000 2020-03-02 2020-03-02 18:05:51 by cmj26000
[Gaussian] [已完结]DFT计算求助 (3/947) 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。。。。 (1/520) 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 (2/915) 小snail1314 2019-02-19 2020-02-27 14:25:01 by 于化龙
[Gaussian] [已完结]求软件 (2/1132) 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 (2/961) 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)(7/1767) zenzhiwen163 2020-02-22 2020-02-23 22:33:39 by paramecium86
[Gaussian] COS+M=CO+S+M等热解反应中的M所代表的含义 (23/1494) 流浪猫小琪 2020-02-19 2020-02-23 16:35:21 by 流浪猫小琪
[量化新手 ] 【求助】吸收光谱和能级 (4/1010) zzl7337 2010-05-14 2020-02-22 07:58:39 by peptide2882
[ADF/Dal ] [已完结]求助个关于ADF计算中自旋限制的问题 (3/808) flyheight 2017-12-13 2020-02-21 21:28:35 by 使进学
[个人文集] 关于分子间范德华作用的随想    ( 1 2 ) (68/7824) zhou2009 2011-06-20 2020-02-19 15:32:12 by ladylady1990
[其他] From Quantum to Classical Molecular Dynamics (19/961) hakuna 2015-02-10 2020-02-19 14:20:19 by wmnick
[量化新手 ] [已完结]求Gaussian 09 (4/1039) 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 (3/2012) 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 (9/1879) 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 (2/1405) 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 (9/2294) 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 (2/1098) mapinyi1989 2020-02-10 2020-02-11 12:51:52 by mapinyi1989
[Gaussian] 【求助】如何利用高斯计算电子云密度 (7/7657) conan3020 2011-03-28 2020-02-11 11:16:04 by ol点点yo
[Gaussian] [已完结]gaussian错误求助 提示硬盘空间不足 (2/1904) 过路人AT 2017-03-22 2020-02-10 20:53:33 by magicrao
[Gaussian] [已完结]g09: command not found (4/2817) 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 (3/1015) 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? (2/2830) xzh410512206 2015-09-20 2020-02-07 12:34:37 by 毒毒
[其他] 计算光化学    ( 1 2 ) (74/4315) hakuna 2014-11-23 2020-02-05 14:53:35 by wangwenju
[Gaussian] 【求助】CBS-QB3单点能计算 (18/3670) 313588908 2011-02-26 2020-02-04 22:13:40 by mgfudan
[Gaussian] [已完结]求高斯软件for Linux (8/2562) dsal_yan 2015-06-08 2020-02-03 08:48:00 by Nilman
[Gaussian] 【分享】Gaussian 09 使用手冊(中文繁体) (32/6044) zhou2009 2010-12-02 2020-02-01 07:01:10 by Brutallus
[Gaussian] IRC只算了一步就结束了 (5/1402) 1015780238 2019-10-22 2020-01-29 22:40:36 by 1464969820
[其他] 绝热分子动力学模拟(Non-adiabatic molecular dynamics simulation) (2/1663) zqzq71 2015-07-03 2020-01-16 18:43:12 by sunrider
[Gaussian] [已完结]求助Gaussian09 64位的 windows版本 软件 (2/1489) 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 (1/1519) 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 (1/1115) 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? (0/520) 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 ) (10/2327) lppcvd 2011-10-29 2020-01-14 08:26:08 by 山木易石94
[Gaussian] contour levels for these orbitals should be provided. (2/523) 分开旅行 2020-01-09 2020-01-10 20:50:04 by 分开旅行
[Gaussian] [已完结]求一个win gauss16和gaussview6 (1/1567) 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 (3/2854) 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 (5/1609) 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 (3/686) 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? (0/598) 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 (1/1656) 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 (1/579) yuanqi147 2020-01-07 2020-01-07 22:19:06 by paramecium86
[量化新手 ] [已完结]求助vmd1.8.6 (2/948) 阿白。 2019-12-09 2020-01-07 16:37:43 by rublish
[Gaussian] 如何回答审稿人这个问题? (2/915) xiaogang0611 2020-01-07 2020-01-07 16:21:25 by xiaogang0611
[Gaussian] [已完结]求助 (4/931) 苏格拉没有地 2017-09-01 2020-01-06 14:19:28 by 爱吃辣辣
[Gaussian] 关于过渡态势垒高低的疑问 (1/972) 赵hff 2020-01-04 2020-01-06 10:35:27 by paramecium86
[其他] [已完结]求助 Quantum Chemistry, Donald A. McQuarrie的练习题解析!! (0/923) 631218064 2020-01-05 2020-01-05 17:27:45 by 631218064
[其他] 投票:  国家自然基金申请与批准情况    ( 1 2 3 4 5 ) (211/3385) 含能材料 2018-08-16 2020-01-03 23:02:51 by liuyusuc
[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 (0/670) 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 ) (24/3886) 幺妹妹 2018-06-10 2020-01-02 14:29:31 by surpise123
[量化新手 ] 徐光宪的量子化学    ( 1 2 3 4 ) (评阅+3) (32/7454) 张100730227 2013-12-28 2020-01-02 13:53:12 by jgxingfu
[Gaussian] [已完结]求Gaussian PBC合作!!!!! (2/737) guoxu3822650 2019-12-27 2019-12-30 17:20:05 by guoxu3822650
[Gaussian] [已完结]高斯说明书 (2/1054) huoyan7792 2011-04-24 2019-12-30 11:40:36 by xthesea
[其他] V.May: Charge and Energy Transfer Dynamics in Molecular Systems    ( 1 2 3 ) (127/3825) yjcmwgk 2014-01-10 2019-12-29 17:40:27 by quantum999
[Gaussian] [已完结]关于Exciton Binding Energy (2/661) 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 (1/1128) 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) (4/2028) 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 (2/1080) 150csd 2019-12-26 2019-12-28 14:21:27 by 150csd
[Gaussian] 第十一届科音量化初级班报名 (7/517) 暗殇之夜 2019-12-27 2019-12-27 08:54:24 by 15645016370
[其他] 求助一本有关非线性光学的书 (0/576) 13114635706 2019-12-26 2019-12-26 19:14:10 by 13114635706
[其他] [已完结]基于pyton 的chemshell (6/1785) 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 (1/1232) 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 ) (12/4747) AWQQ111 2014-04-16 2019-12-24 11:43:52 by 10086VIP
[Gaussian] [已完结]求Gaussian09和Gaussionview的linux版本 (3/814) 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 (6/1789) mikufan 2019-12-20 2019-12-23 10:52:48 by mikufan
[Gaussian] 【求助】关于b97-d泛函的TD (3/1385) domilar 2010-07-11 2019-12-23 07:11:15 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? (0/631) 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 (3/5544) 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 ) (11/5894) fanhongxiang 2015-12-12 2019-12-20 18:07:40 by lighting5410
[Gaussian] [已完结]求助gaussian软件 (3/700) 光速¥ 2019-11-18 2019-12-20 17:13:24 by hui8023
[Gaussian] [已完结]零点能 (3/1885) 李晓绒 2014-03-13 2019-12-20 16:57:54 by mgfudan
[Gaussian] 在三维分子结构上自动标注、显示键长信息    ( 1 2 ) (55/2223) rh1127 2012-12-06 2019-12-19 07:17:52 by elelishuai
[Gaussian] [已完结]guass (1/793) xiyel 2019-12-18 2019-12-19 03:40:32 by paramecium86
[Gaussian] [已完结]优化 (4/938) CaucLiuSha 2019-12-18 2019-12-18 22:17:10 by paramecium86
[Gaussian] [已完结]BSSE校正出错 (3/1176) feiyang1210 2016-03-21 2019-12-18 19:10:33 by Paradise刘
[Gaussian] [已完结]Linux下guassian内存问题 (3/863) 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 (6/7239) 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。 (1/1540) 卢涛 2018-06-08 2019-12-17 05:46:05 by 呼啦啦boom
[量化新手 ] 【求助】关于LUMO,HOMO单位为a.u.和eV之间的换算 (4/4743) bly-wj 2010-11-25 2019-12-16 16:40:04 by Jessie46
[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 (2/5372) AnnaBubbles 2019-12-12 2019-12-16 11:39:25 by shiyongliu
[Gaussian] 求助一个计算化学的理论问题 (3/998) wuyong123 2019-12-13 2019-12-15 12:15:15 by paramecium86
[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)!!! (0/810) 快乐谱 2019-12-13 2019-12-13 22:25:04 by 快乐谱
[Gaussian] [已完结]pbc (0/709) HectorYu 2019-12-13 2019-12-13 12:59:58 by HectorYu
[其他] [已完结]DIRAC18.0安装 (0/473) shasha87 2019-12-13 2019-12-13 12:53:01 by shasha87
[Gaussian] [已完结]pbc (0/497) 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) (3/555) 乾坤艮震 2016-01-14 2019-12-13 10:20:46 by lrn076
[Gaussian] [已完结]新手求助 (2/721) llliner1982 2019-12-12 2019-12-12 10:27:03 by llliner1982
[Gaussian] [已完结]CPHF failed to converge in LinEq2.    ( 1 2 ) (11/4346) 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 (1/2504) 药物分析!! 2019-12-11 2019-12-12 00:07:23 by paramecium86
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