24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|QC强帖排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 量子化学 » ADF/Dalton 订阅

管理团队 (金币库 106926 充值 )

主管区长：
月只蓝小红豆
主管版主：
zhou2009paramecium86

杰出贡献者

专家顾问：
beeflyjieweiggdh卡开发发dxcharlaryjpchou
荣誉版主：
lei0736zzgybwuli8aylayl08nono2009fegg7502zzy870720zuuv2010csfn御剑江湖yjcmwgkgmy1990ben_ladengcenwanglailjw4010
荣誉成员：
erylingjetheyo_123gkf高
3183/4上一页1234下一页
全部 文章故事 个人文集 Gaussian 量化图形可视化软件 NBO/AIM ADF/Dalton Molpro/Molcas Gamess/Q-Chem HyperChem/NWChem ChemOffice Multiwfn Turbomole/ORCA SAPT/AOMix/Swizard Semi-empirical 量化新手直通车 Linux应用 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 三无产品还有机会吗 2121212a 2025-12-25 刚刚
[ADF/Dal ] [已完结]求助Dalton中文手册 (3/1097) wzmn-1987 2012-04-17 2012-04-17 21:57:15 by wzmn-1987
[ADF/Dal ] [已完结]求助C60的生成坐标 (2/877) mmmy007 2012-04-16 2012-04-16 23:43:05 by ldzh0531
[ADF/Dal ] [已完结]求助ADF问题 (0/281) liping888 2012-04-15 2012-04-16 06:43:39 by liping888
[ADF/Dal ] [已完结]ADF安装出错 (6/1076) 不喜欢豆芽 2011-11-29 2012-04-09 05:32:01 by 不喜欢豆芽
[ADF/Dal ] [已完结]ADF的NMR计算 (0/287) cindylove 2012-03-22 2012-03-22 16:53:53 by cindylove
[ADF/Dal ] [已完结]急请同胞们帮忙 (5/663) liping888 2012-02-21 2012-03-14 14:07:54 by wntc
[ADF/Dal ] 求助 (1/288) liping888 2012-03-10 2012-03-13 09:05:20 by yoghurt117
[ADF/Dal ] [已完结]ADF计算出错！ (2/639) liuzhengjun0427 2012-02-23 2012-03-01 15:41:11 by liuzhengjun0427
[ADF/Dal ] [已完结]ADF 遇到的一个小问题 (2/350) haihai_zhu 2012-02-27 2012-02-27 17:00:50 by haihai_zhu
[ADF/Dal ] [已完结]计算结合能和稳定化能是一回事吗？有什么不同吗? (2/648) sangym 2012-01-04 2012-02-07 14:15:29 by sangym
[ADF/Dal ] ADF2012 released, major update ADF software suite, from Stan (1/1210) syding1531 2012-02-04 2012-02-04 23:28:39 by cuiyoutian88
[ADF/Dal ] 如何在ADF中使用片断 (1/409) naya221 2011-12-08 2012-02-04 17:31:58 by syding1531
[ADF/Dal ] ADF 运行出错，求解？ (2/2094) naya221 2011-12-08 2012-02-04 17:09:17 by syding1531
[ADF/Dal ] [已完结]求助：ADF linux下面计算结构优化出错关机 (3/638) nh13 2011-12-26 2011-12-27 19:57:16 by nh13
[ADF/Dal ] [已完结]ADF算能量分解基组设置问题 (1/531) liuzhengjun0427 2011-12-18 2011-12-19 12:33:36 by cindylove
[ADF/Dal ] [已完结]ADF的并行计算 (2/441) cindylove 2011-10-26 2011-12-05 10:53:54 by yjr
[ADF/Dal ] [已完结]ADF 能量分解 参数如何设置 (0/503) slay3 2011-12-04 2011-12-05 09:37:54 by slay3
[ADF/Dal ] [已完结]求ADF最新的license文件 (1/644) handsome_yj 2011-11-30 2011-12-01 12:45:41 by handsome_yj
[ADF/Dal ] 【分享】ADF2009最新试用版license分享 (12/2327) wuy069 2010-04-15 2011-11-29 13:01:52 by 守护001
[ADF/Dal ] [已完结][关贴]ADF溶剂中能量分解 (0/367) 不喜欢豆芽 2011-11-17 2011-11-19 10:29:50 by 不喜欢豆芽
[ADF/Dal ] Dalton新版本发布了，Dalton2011 Programs (评阅+3) (4/834) wuy069 2011-07-21 2011-11-10 19:29:45 by wuy069
[ADF/Dal ] ADF收敛 (0/254) cindylove 2011-11-05 2011-11-06 19:17:49 by cindylove
[ADF/Dal ] [已完结]求ADF输出文件的说明 (3/1158) slay3 2011-05-26 2011-10-23 22:50:32 by beefly
[ADF/Dal ] [已完结]ADF计算方法和基组的选择 (3/1131) handsome_yj 2011-08-30 2011-10-23 14:20:04 by cindylove
[ADF/Dal ] [已完结]范德瓦尔斯力-密度泛函（Van der Waals density functional） (6/2350) gjh123 2011-10-08 2011-10-11 13:35:10 by 043114076
[ADF/Dal ] [已完结]在ADF试用版中如何使用ReaxFF模块 (2/960) xk6891 2011-09-29 2011-09-30 13:05:41 by xk6891
[ADF/Dal ] [已完结]请问虫友们哪位有可以消ADF虚频的软件啊？ (2/442) lipeng87 2011-09-24 2011-09-30 11:40:22 by candyaaa
[ADF/Dal ] [已完结]请问Dalton的频率计算是数值梯度还是解析梯度的？ (0/232) jianqin 2011-09-24 2011-09-24 15:06:19 by jianqin
[ADF/Dal ] [已完结]请大家帮忙看一下，关于有成单电子体系的输入文件和错误报告，该怎么修改？？ (1/368) fwenling0506 2011-09-16 2011-09-22 08:13:55 by fwenling0506
[ADF/Dal ] [关贴]dalton 2.0的输入文件如何写 (0/301) jwell 2011-09-18 2011-09-18 11:17:31 by jwell
[ADF/Dal ] [已完结]大家帮忙看一下，ADF计算带有未成对电子体系的能量分解分析 (3/1365) fwenling0506 2011-09-14 2011-09-15 13:03:03 by calfwoo
[ADF/Dal ] [已完结]ADF 两个卟啉平行错位不收敛 (3/1110) slay3 2011-05-12 2011-09-14 06:44:30 by syding1531
[ADF/Dal ] 【求助】体系就C.N H等原子，优化结构不收敛 (2/570) gljguoguo 2011-03-21 2011-09-14 06:38:02 by syding1531
[ADF/Dal ] 【求助】ADF 频率计算问题！ (3/1172) zhangfq7112 2011-03-20 2011-09-14 06:18:49 by syding1531
[ADF/Dal ] 【交流】Compile Dalton2011 program (3/619) wuy069 2011-08-24 2011-09-07 19:17:20 by oogino
[ADF/Dal ] [已完结]多金属氧簇离子计算 (1/390) liuyusuc 2011-09-01 2011-09-02 21:10:25 by voleyes
[ADF/Dal ] [已完结]ADF计算两个碎片能量分割时出现的错误 (2/678) luolun2008 2011-08-27 2011-08-31 22:36:33 by jintongyin
[ADF/Dal ] Mag (0/225) 4010808 2011-08-28 2011-08-30 16:08:09 by 4010808
[ADF/Dal ] [已完结]so和sr能级轨道的对应 (2/843) xiaoxiao136 2011-08-05 2011-08-20 15:27:50 by xiaoxiao136
[ADF/Dal ] [已完结]求助ADF最新licence，多谢了啊 (2/412) lipeng87 2011-08-01 2011-08-01 21:56:44 by lipeng87
[ADF/Dal ] [已完结]ADF软件中XC Model SOAP怎么使用 (0/297) akikucoco 2011-07-31 2011-07-31 10:27:29 by akikucoco
[ADF/Dal ] 【求助】ADFView读.t21文件 (2/886) nanasj 2010-12-28 2011-07-14 17:13:13 by lipeng87
[ADF/Dal ] 【求助】adfjobs运行 (金币≥100)(2/54) qchemq 2011-04-04 2011-07-14 16:38:01 by lipeng87
[ADF/Dal ] 【求助】ADF能级的画法 (1/491) bluejh 2011-04-01 2011-07-14 16:35:12 by lipeng87
[ADF/Dal ] [已完结]dalton 求助 (1/675) jwell 2011-07-10 2011-07-10 21:06:01 by wuy069
[ADF/Dal ] [已完结]dalton安装时显示找不到mathematical libraries (2/368) jwell 2011-07-05 2011-07-07 09:54:46 by jwell
[ADF/Dal ] Dalton的安装流程是怎样的 (1/593) vallen 2011-06-11 2011-07-04 18:09:40 by wuy069
[ADF/Dal ] [已完结]求助：如何分析多原子分子间所形成的化学键（而不是分子轨道）的原子轨道成分 (1/496) lipeng87 2011-06-19 2011-06-19 21:00:33 by 独孤狼
[ADF/Dal ] [已完结][关贴]EDA分析中开壳层片段计算 (2/559) wcz2008 2011-06-12 2011-06-12 12:19:18 by wcz2008
[ADF/Dal ] 【求助】用ADF计算ELF(electron localization function) (6/1634) wcz2008 2010-10-22 2011-06-12 00:29:42 by wcz2008
[ADF/Dal ] [已完结][关贴]ADF中preparation energy的计算 (1/610) wcz2008 2011-05-15 2011-06-05 17:08:46 by zhangfq7112
[ADF/Dal ] [已完结]求助：ADF最新license，谢谢哈，呵呵 (3/912) lipeng87 2011-05-26 2011-05-27 13:33:23 by lipeng87
[ADF/Dal ] [专家] 【资源】Dalton新功能预览 (评阅+3) (6/786) beefly 2010-10-15 2011-05-24 06:29:59 by ikea1984
[ADF/Dal ] 【求助】如何在ADF程序中完成这样的输入命令 (8/1246) yap1985 2010-04-01 2011-05-13 09:13:14 by slay3
[ADF/Dal ] [已完结]求：ADF 最新 licence，谢谢哈 (1/462) lipeng87 2011-04-28 2011-04-28 14:13:41 by wuy069
[ADF/Dal ] [已完结]adf中 band模块，画能带的k点怎么调节？ (金币≥50)(0/43) 贺仪 2011-04-23 2011-04-23 21:46:24 by 贺仪
[ADF/Dal ] [已完结]ADF进行能量分解计算 (3/1029) liuyusuc 2011-04-20 2011-04-23 12:55:28 by liuyusuc
[ADF/Dal ] 【求助】ADF计算激发态出现震动强度为零 (1/441) qchemq 2011-04-03 2011-04-15 16:40:15 by 扎西彭措
[ADF/Dal ] 【求助】关于ADF计算Raman光谱 (3/869) lipeng87 2011-03-21 2011-04-15 07:54:54 by lipeng87
[ADF/Dal ] 【求助】ADF那些命令控制输出文件呢？ (0/345) 贺仪 2011-03-30 2011-03-30 16:57:42 by 贺仪
[ADF/Dal ] 【求助】占据指定 (1/447) xiaoxiao136 2011-03-29 2011-03-30 10:43:11 by xiaoxiao136
[ADF/Dal ] 【求助】adf中有关能级图的做法 (4/785) xiaoxiao136 2011-03-15 2011-03-28 14:28:43 by 贺仪
[ADF/Dal ] 【求助】用ADF优化γ【Mo8O26】4-构型不理想 (7/1196) sangym 2010-11-02 2011-03-28 09:54:23 by sangym
[ADF/Dal ] 【求助】有一个286个原子的体系，在ADF上使用什么方法和基组 (8/1482) gujing136 2010-12-27 2011-03-24 10:17:01 by levyleo
[ADF/Dal ] 【求助】结构优化不收敛 (9/2551) xiaoxiao136 2011-03-14 2011-03-22 10:21:02 by tiechong
[ADF/Dal ] 【求助】windows版ADF计算镧系团簇不收敛 (7/1322) m_luyan 2010-04-05 2011-03-18 11:55:06 by beefly
[ADF/Dal ] 【求助】adf中分子轨道该怎么做呢 (0/354) xiaoxiao136 2011-03-15 2011-03-15 22:47:18 by xiaoxiao136
[ADF/Dal ] 【讨论】ADF版权的问题 (6/1203) zhanggao 2010-07-09 2011-03-15 14:15:56 by richen0564
[ADF/Dal ] 【求助】Scaled ZORA energy correction (1/292) xiaoxiao136 2011-03-03 2011-03-09 12:19:25 by qlihytc
[ADF/Dal ] 【求助】the transition state method (1/342) xiaoxiao136 2011-03-03 2011-03-09 12:11:51 by qlihytc
[ADF/Dal ] 【求助】ADF输出时出错，出现一个QUILD_error文件，求助原因 (1/368) lipeng87 2011-03-08 2011-03-09 12:10:21 by qlihytc
[ADF/Dal ] 【讨论】ADF NBO有这么慢吗？ (评阅+1) (3/851) wtscrystal 2010-04-10 2011-03-07 22:22:54 by lipeng87
[ADF/Dal ] 【求助】用ADF中的spin-orbit相对论如何处理自旋非限制性开壳层体系 (2/704) liyzlyz 2011-03-02 2011-03-03 11:08:03 by levyleo
[ADF/Dal ] 【讨论】急需请教高手，有关电荷分解和能量分解分析方法，谢谢 (8/1727) sxguoch 2011-02-23 2011-02-25 17:39:17 by hexinchem
[ADF/Dal ] 【求助】请放一个Dalton在纳米盘吧 (4/434) fdtdpc 2011-02-17 2011-02-21 23:22:30 by yongma2008
[ADF/Dal ] [关贴]【求助】ADF最新的license (0/559) lipeng87 2011-02-19 2011-02-19 10:25:01 by lipeng87
[ADF/Dal ] 【分享】ADF最新license (评阅+5) (8/1030) paopao1122 2010-12-22 2011-01-08 12:31:12 by zyz1981
[ADF/Dal ] 【求助】静电势 (0/275) nanasj 2011-01-06 2011-01-06 09:28:06 by nanasj
[ADF/Dal ] 【分享】ADF2008及序列号2 (17/2168) lz830617 2009-06-04 2010-12-31 23:30:40 by 小白如水
[ADF/Dal ] 【求助】模拟气体在液体中的溶解度，用ADF好还是gaussian好呢？ (0/657) 小白如水 2010-12-30 2010-12-30 16:13:47 by 小白如水
[ADF/Dal ] 【求助】有人能详细说说ADF的安装过程吗？ (2/388) boylc789 2010-12-20 2010-12-22 17:28:25 by boylc789
[ADF/Dal ] 【求助】adf怎么装在服务器上 (5/729) xiaoxiao136 2010-07-06 2010-12-20 13:00:58 by boylc789
[ADF/Dal ] 【求助】adf08安装遇到的问题 (1/428) stormfly 2010-10-11 2010-12-20 10:55:10 by boylc789
[ADF/Dal ] 【求助】adf 如何指定核数进行计算？ (1/514) zhanggao 2010-11-30 2010-12-04 16:19:36 by ifmc1234
[ADF/Dal ] 【求助】adf如何算光电子谱    ( 1 2 ) (11/1586) xiaoxiao136 2010-07-08 2010-11-21 11:48:24 by stevenabing
[ADF/Dal ] 【求助】求ADF2010试用版 (1/490) wolfmei 2010-10-20 2010-11-19 11:31:57 by mengmuchon
[ADF/Dal ] 【求助】ADF中的total bonding energy具体是什么？ (0/533) paopao1122 2010-11-05 2010-11-05 10:30:55 by paopao1122
[ADF/Dal ] 【求助】ADF中冻芯问题 (1/491) paopao1122 2010-10-29 2010-10-29 16:26:09 by 九仙居士
[ADF/Dal ] 【求助】linux下装adf源码包 出现错误 (3/1102) wzjk 2010-10-25 2010-10-26 10:27:06 by calfwoo
[ADF/Dal ] 【求助】ADF2009的Linux版本 (1/349) lipeng87 2010-10-25 2010-10-25 20:58:31 by lihb734
[ADF/Dal ] 【求助】ADF优化结构遇到的问题 (3/533) stormfly 2010-10-08 2010-10-08 11:08:17 by calfwoo
[ADF/Dal ] 【求助】ADF运行出错 stack overflow (0/454) 331738420 2010-09-27 2010-09-27 17:33:10 by 331738420
[ADF/Dal ] 【求助】请教ADF中Movie及Graph的导出 (0/353) asunshixin 2010-09-27 2010-09-27 16:30:17 by asunshixin
[ADF/Dal ] 【求助】ADF的计算结果如何在gaussian中打开？ (3/407) stormfly 2010-09-16 2010-09-17 09:28:18 by stormfly
[ADF/Dal ] 【求助】ADF中 混合基组输入问题请教 (1/382) spring965 2010-09-16 2010-09-17 08:18:01 by lihb734
[ADF/Dal ] 【求助】kfopvr: Attempt to open unknown variable : Hybrid Exen SCF (1/344) 8tao7 2010-09-04 2010-09-04 20:55:45 by 8tao7
[ADF/Dal ] 【求助】关于 ADF 中的EDA分析 (3/1112) wcz2008 2010-08-08 2010-09-02 19:51:16 by dukelr
3183/4上一页1234下一页
相关版块跳转
查看