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[热点] 有没有人能给点建议 深蓝的天空 2026-01-18 刚刚
[Turbomo ] [已完结]哪位成功下载到orca3.0吗? (6/1179) quantum999 2013-09-30 2014-03-26 07:05:18 by truelove
[Turbomo ] [已完结]求ORCA的用户手册。（官网上的下不下来） (1/2413) 小李飞刀415 2014-03-14 2014-03-14 10:46:28 by lihb734
[Turbomo ] orca 3.0发布了    ( 1 2 ) (评阅+5) (18/2546) pwzhou 2013-09-26 2014-01-31 21:26:34 by smutao
[Turbomo ] [已完结]ORCA并行错误 (8/2245) ikea1984 2012-05-13 2014-01-30 04:58:01 by bluesxn
[Turbomo ] [已完结]求助trubomole下计算溶剂化效应（20金币哦） (2/1058) ccxcyh 2014-01-09 2014-01-10 14:52:43 by shenhai1315
[Turbomo ] [已完结]Turbomole中用CC2 优化最低的triplet state (0/580) iamxyjmk 2013-12-13 2013-12-29 08:54:10 by iamxyjmk
[Turbomo ] [已完结]求助 谁有orca计算磁性分子的零场劈裂参数D的输入文件？谢谢 (8/1618) 杨寻 2013-01-05 2013-12-20 18:05:57 by 杨寻
[Turbomo ] [已完结][关贴]B3LYP无法收敛 (6/1322) forever1706 2013-05-19 2013-11-25 23:21:37 by forever1706
[Turbomo ] [已完结]有下载了orca 3.0的吗？ (7/1377) qchem 2013-11-03 2013-11-04 07:05:46 by qchem
[Turbomo ] [已完结][关贴]求ORCA中使用COSMO模型算溶剂化能的输入文件？ (0/1036) liweiyi123456 2013-11-01 2013-11-02 09:19:33 by liweiyi123456
[Turbomo ] [已完结]gopenmol一运行就死机 (0/444) ysbglucky 2013-10-14 2013-10-14 16:29:15 by ysbglucky
[Turbomo ] [已完结]小弟最近想学习MRCI，看到文献上有些不懂，特来请教。    ( 1 2 ) (13/2000) superrice 2013-10-08 2013-10-13 08:54:15 by superrice
[Turbomo ] [已完结]Turbomole如何做spin-flip (0/574) ysbglucky 2013-09-18 2013-09-18 11:38:12 by ysbglucky
[Turbomo ] turbomole计算激发态的频率的时候出现了虚频 (9/1332) qxd568910294 2013-04-05 2013-08-20 12:56:46 by 茕茕恭煮
[Turbomo ] [已完结]RIMP2 (2/639) cj陈娇 2013-06-07 2013-08-06 14:47:24 by zq84229
[Turbomo ] [已完结]Duschinsky matrix elements (4/801) sunny-ielts 2013-07-20 2013-07-27 09:48:30 by sunny-ielts
[Turbomo ] 快速稳定量子化学计算软件Turbomole 入门培训课程 (2/1599) 小丑鱼YY 2013-06-09 2013-07-25 16:30:17 by fegg75O2
[Turbomo ] 求助 (2/455) cj陈娇 2013-06-03 2013-06-04 13:34:13 by cj陈娇
[Turbomo ] [已完结]Turbomole并行问题 (0/429) -lee- 2013-05-27 2013-05-27 15:35:59 by -lee-
[Turbomo ] [已完结][关贴]TmoleX画轨道出图分辨率才96？怎么用POV-ray？ (0/1086) forever1706 2013-05-18 2013-05-19 09:03:32 by forever1706
[Turbomo ] [已完结]ORCA 无法载入输入文件 (0/381) pscox 2013-05-08 2013-05-08 13:57:53 by pscox
[Turbomo ] [已完结]ORCA跨节点并行问题 (2/981) lsc84 2013-04-17 2013-04-18 20:06:28 by lsc84
[Turbomo ] [关贴]用turbomole计算激发态的频率的时候出现Data group $grad not found in file gradient (0/385) qxd568910294 2013-04-06 2013-04-06 22:36:27 by qxd568910294
[Turbomo ] :error reading $hessian ! force ended abnormally (2/599) qd3627665 2013-04-05 2013-04-06 19:51:43 by qxd568910294
[Turbomo ] 用turbomole计算激发态的频率的时候出现虚频, (16/981) qd3627665 2013-04-04 2013-04-04 20:37:17 by 失落的豇豆
[Turbomo ] [已完结]请问ORCA2.9安装之后运行有如下错误怎么解决 (1/591) wanghanlu 2013-03-29 2013-03-30 17:51:51 by wanghanlu
[Turbomo ] [已完结]用CASSCF方法计算双核铜配合物的磁耦合常数输入文件 (1/721) lsc84 2013-03-26 2013-03-26 13:46:17 by lsc84
[Turbomo ] 如何使用turbomole (2/827) fantastic 2012-10-04 2013-03-16 21:21:23 by lenienter
[Turbomo ] [已完结]Turbomole结构优化金属有机簇出错 (0/586) hjlyyc 2012-12-12 2012-12-13 14:12:56 by hjlyyc
[Turbomo ] 抛砖引玉：turbomole手册的例子 (5/1260) 一声叹息010 2012-09-04 2012-11-23 06:43:29 by 一声叹息010
[Turbomo ] 【求助】再请教orca计算结果中的成键和反键轨道问题 (1/606) tanghao86 2010-07-14 2012-11-22 19:09:37 by 一声叹息010
[Turbomo ] 【求助】请问orca的可视化软件有什么？ (7/2589) yjcmwgk 2010-03-10 2012-11-22 18:49:48 by 一声叹息010
[Turbomo ] 【求助】谁用过ORCA，感觉如何？谢谢各位，呵呵 (8/2025) yjcmwgk 2010-03-02 2012-11-22 18:34:23 by 一声叹息010
[Turbomo ] 【求助】轨道波函数的绘制 (4/1202) solarman 2010-09-12 2012-11-22 18:25:30 by 一声叹息010
[Turbomo ] [已完结]为什么ORCA网站我上不去？ (3/1003) jianqin 2012-10-25 2012-11-11 10:31:19 by jianqin
[Turbomo ] [已完结]turbomole6.4运行错误。。 (2/987) mojie1987 2012-11-05 2012-11-05 18:56:02 by mojie1987
[Turbomo ] [已完结]ORCA计算结果怎么看某一轨道的贡献 (8/1271) lsc84 2012-09-02 2012-10-08 20:53:18 by lsc84
[Turbomo ] [已完结]win7下如何做orca2.9的单机并行计算 (1/574) lsc84 2012-10-02 2012-10-04 11:15:09 by ghcacj
[Turbomo ] [已完结]turbomole 计算中的问题 优化激发态 (0/508) liu261591984 2012-09-15 2012-09-16 11:16:30 by liu261591984
[Turbomo ] [已完结]ORCA BrokenSym 多核体系设置 (2/640) lsc84 2012-08-30 2012-09-01 15:17:27 by lsc84
[Turbomo ] 【求助】Turbomole激发态优化溶剂化效应的问题 (8/1997) star2010 2011-03-03 2012-06-18 01:48:24 by pwzhou
[Turbomo ] 【求助】请教使用orca计算出的这个自旋密度图是怎么画的？ (5/2395) tanghao86 2010-07-15 2012-06-02 12:43:28 by shangxh
[Turbomo ] [已完结]基态构型优化 小虚频 (7/1927) phoenixydp 2011-06-25 2012-05-28 19:59:40 by gkf高
[Turbomo ] [已完结][关贴]turbomole除jobex 的并行 (0/448) daiyulan85 2012-05-02 2012-05-02 22:04:57 by daiyulan85
[Turbomo ] [已完结][关贴]利用orca计算结果做紫外光谱应该用什么软件怎么做？？？ (0/721) sangym 2012-04-18 2012-04-18 15:01:50 by sangym
[Turbomo ] [已完结]orca引入外部电荷文件的计算 (0/631) astringent 2012-01-11 2012-01-26 20:06:18 by astringent
[Turbomo ] 【求助】Turbomole做TDDFT (9/1913) domilar 2010-06-25 2011-11-23 10:58:18 by pwzhou
[Turbomo ] [已完结]Turbomole分子动力学模拟 (0/518) xjiao 2011-11-18 2011-11-18 22:45:57 by xjiao
[Turbomo ] [已完结]orca中能用长程校正方法吗 (2/829) wzmn-1987 2011-10-30 2011-10-30 16:32:09 by yjcmwgk
[Turbomo ] [已完结]gbw文件怎样画前线分子轨道 (1/711) wzmn-1987 2011-10-20 2011-10-20 10:23:37 by lihb734
[Turbomo ] 【求助】Orca 2.8的一个计算赝势的例子报错    ( 1 2 ) (12/2058) ghcacj 2010-10-11 2011-10-19 16:29:49 by ghcacj
[Turbomo ] 【求助】TURBOMOLE作基态构型优化时失败 (4/1222) phoenixydp 2010-08-31 2011-10-12 10:31:29 by lipeiling
[Turbomo ] [已完结]ORCA中辅助基组的问题--双辅助基组是否增加计算精度？ (0/1126) jianqin 2011-10-09 2011-10-09 21:36:26 by jianqin
[Turbomo ] [已完结]ORCA计算得到gbw文件后，怎么作自旋密度图？ (5/1730) lsc84 2011-10-01 2011-10-02 10:31:48 by beefly
[Turbomo ] [已完结]ORCA优化激发态出错 (3/1270) wzmn-1987 2011-09-26 2011-09-26 09:44:14 by wzmn-1987
[Turbomo ] [已完结]orca中zindo方法的参数设置 (0/487) zhugezilong 2011-09-07 2011-09-08 17:07:47 by zhugezilong
[Turbomo ] 免费专业量子化学软件TURBOMOLE (12/3240) CKX 2011-06-07 2011-07-16 23:24:58 by bluewhale
[Turbomo ] 【求助】orca的安装文件如何得到，我注册了，貌似一直没有回音？ (3/1500) zyj8119 2011-01-10 2011-07-13 08:27:55 by boylc789
[Turbomo ] 【求助】turbomole的输入文件 (3/1675) peterman 2011-02-13 2011-06-15 20:05:03 by pwzhou
[Turbomo ] [已完结]【求助】请教rimp2优化的并行问题，非常感谢 (2/463) 屠户 2011-05-30 2011-05-31 18:05:52 by 屠户
[Turbomo ] turbomole能算晶体的能带和态密度吗？ (0/416) scq123 2011-05-31 2011-05-31 16:38:14 by scq123
[Turbomo ] 【求助】求可用的turbomole版本    ( 1 2 ) (10/1735) 小白如水 2011-01-08 2011-05-27 14:59:21 by userhung
[Turbomo ] [已完结]【turbomole】练习mpgrad所遇的问题，请求帮助，非常感谢 (0/564) 屠户 2011-05-26 2011-05-26 22:33:10 by 屠户
[Turbomo ] 【求助】含DFT-D方法的软件 (6/1501) tiechong 2010-07-19 2011-05-21 18:54:33 by lihb734
[Turbomo ] [已完结][关贴]求助：Turbomole 中 ired 步骤出现 Warning! (1/1021) daiyulan85 2011-05-18 2011-05-18 19:12:48 by daiyulan85
[Turbomo ] 1 (0/290) zhangcaifeng 2011-04-04 2011-04-04 09:22:19 by zhangcaifeng
[Turbomo ] 【求助】【求助】 关于PEECM方法 (0/428) louazhao 2011-03-11 2011-03-11 22:08:06 by louazhao
[Turbomo ] 【求助】用Orca计算一个片簇的单点能，不收敛。 (7/3313) ghcacj 2011-03-02 2011-03-04 10:13:17 by ghcacj
[Turbomo ] 【求助】学习turbomole的ricc2例题时遇到的问题 (2/651) sigma_young 2011-02-17 2011-02-23 19:59:08 by sigma_young
[Turbomo ] 【求助】一篇文献计算反应历程，出现个seam，这是什么？ (1/388) xiaojivan 2011-01-10 2011-01-10 17:23:22 by gmy1990
[Turbomo ] 【分享】Turbomole的可视化软件TmoleX (评阅+3) (1/2204) tiechong 2010-10-18 2011-01-08 18:04:11 by 小白如水
[Turbomo ] 【求助】下了个tmoleX3.01demo 不会用 (0/717) 小白如水 2011-01-06 2011-01-06 16:25:06 by 小白如水
[Turbomo ] 【求助】麻烦高手指点一下。 (1/491) phoenixydp 2010-08-31 2010-11-30 10:21:21 by guoxl886
[Turbomo ] 【求助】请教高手turbomole中可以固定原子吗？ (6/1052) guoxl886 2010-11-28 2010-11-30 10:13:24 by guoxl886
[Turbomo ] 【求助】大家都是怎么解决计算中途停电问题的    ( 1 2 ) (12/1801) star2010 2010-11-25 2010-11-28 11:07:12 by gmy1990
[Turbomo ] 【求助】谁有Turbomole 中 Tutorial 手册 (2/717) 王洪斐 2010-09-29 2010-11-28 08:55:16 by guoxl886
[Turbomo ] 【求助】ORCA, Turbomole, Gamess这些软件比GAUSSIAN有什么优势吗 (评阅+2) (4/3586) tiechong 2010-07-25 2010-11-16 11:28:55 by coolrainbow
[Turbomo ] 【求助】TDDFT吸收谱中如何自由选择能量（波长）范围？ (7/1296) solarman 2010-10-02 2010-11-12 10:21:11 by solarman
[Turbomo ] 【求助】反应活性位点的确认 (0/993) zh1987hs 2010-10-29 2010-10-29 14:57:40 by zh1987hs
[Turbomo ] 【求助】利用ORCA能否计算一种有机物在任意溶剂和水混合体系的分配系数？ (0/654) zh1987hs 2010-09-29 2010-09-29 22:03:25 by zh1987hs
[Turbomo ] 【求助】辅助基组的问题 (4/1384) solarman 2010-09-04 2010-09-18 14:27:57 by solarman
[Turbomo ] 【求助】ORCA激发态几何优化报错 (评阅+5) (5/1676) lihb734 2010-07-05 2010-09-09 09:54:35 by solarman
[Turbomo ] 【讨论】请大家帮忙参谋下，有没有必要买Turbomole (7/1991) z5476t4508 2010-08-04 2010-09-06 09:13:36 by lgn
[Turbomo ] 【求助】辅助基组的选择 (2/612) solarman 2010-08-18 2010-09-05 09:33:14 by solarman
[Turbomo ] 【求助】orca的错误提示：Cannot start Orca because it cannot connect to the Deskt    ( 1 2 ) (10/1197) yjcmwgk 2010-04-09 2010-09-01 10:42:20 by tjuZidan
[Turbomo ] 【求助】请教在orca中双占据轨道的判定是什么？ (0/498) tanghao86 2010-07-19 2010-07-19 15:16:42 by tanghao86
[Turbomo ] 【求助】orca计算过程中停止 (1/667) waterlily1715 2010-07-15 2010-07-15 17:42:46 by tanghao86
[Turbomo ] 【求助】请教turbomole高手 (7/1444) zzl7337 2010-04-29 2010-07-12 08:49:13 by gyli
[Turbomo ] [关贴]【求助】turbomole并行的问题    ( 1 2 ) (10/1957) sikasun 2010-04-16 2010-06-17 14:17:01 by pwzhou
[Turbomo ] 【求助】计算破损态出错 (1/628) waterlily1715 2010-06-04 2010-06-05 14:30:37 by waterlily1715
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