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[热点] 267求调剂 工科材料267 2024-04-19 刚刚
[NBO/AIM] 金属离子和有机分子配位，配位原子的NBO电荷体现了什么作用 (1/319) 雨晨田木 2011-09-14 2011-09-16 08:45:15 by linzhongaiguo
[NBO/AIM] NBO Analysis! 20 (0/547) 小鱼-加油 2011-09-14 2011-09-14 16:00:21 by 小鱼-加油
[NBO/AIM] 使用“加入了NBO5.G的Gaussian03模块”出错，什么原因呢？ 5 (1/489) sealanlan 2011-09-13 2011-09-14 10:32:33 by abdoman
[NBO/AIM] [已完结]求助解释公式 (1/231) jinrf 2011-08-03 2011-08-04 12:27:45 by yongleli
[NBO/AIM] [已完结]如何得到Beta Molecular Orbital Coefficients？ (1/272) kathy2008 2011-08-01 2011-08-01 17:12:53 by 鱼妃
[NBO/AIM] [已完结]NAO分析各轨道能量时遇到的问题，高手们来看看啊~ (2/300) gtolv8688 2011-07-30 2011-07-30 21:50:32 by gtolv8688
[NBO/AIM] 求助啊，用ADF算极化率结果出错了。 2 (0/244) polaris2 2011-07-21 2011-07-21 22:47:20 by polaris2
[NBO/AIM] 请教：如何用AIM计算二茂铁环的电子云密度 20 (0/357) 乐逍遥741 2011-07-06 2011-07-06 15:52:34 by 乐逍遥741
[NBO/AIM] NBOview作图 4 (0/331) hejingsru 2011-07-04 2011-07-04 15:27:53 by hejingsru
[NBO/AIM] [已完结]有cif晶格图，怎么用高斯或者AIM计算热力学函数额 (金币≥1)(1/60) wynli 2011-06-17 2011-06-17 14:12:44 by yongleli
[NBO/AIM] [已完结]求AIM2000的中文使用说明一份 (3/694) liujkbenben 2011-05-07 2011-06-07 08:26:42 by liujkbenben
[NBO/AIM] [关贴]【讨论】请问NBO5.0与 gen nbo 5.0一样吗    ( 1 2 ) (10/1866) xiuhui 2010-04-20 2011-05-30 17:59:03 by boylc789
[NBO/AIM] Gaussview中分子结构的复制 (2/2457) liuyusuc 2011-05-25 2011-05-26 13:13:53 by liuyusuc
[NBO/AIM] 卤代烃电荷计算 (0/258) liuyusuc 2011-05-25 2011-05-25 12:47:08 by liuyusuc
[NBO/AIM] 【求助】请问：EPA 分析是自然集居分析？还是能量布居分析法？ 27 (4/611) linzhongaiguo 2010-08-16 2011-04-25 14:50:51 by linzhongaiguo
[NBO/AIM] 【求助】NBO分析 3 (6/962) saradzj 2011-03-23 2011-04-20 20:53:37 by saradzj
[NBO/AIM] [已完结]bond path ， bond basin用汉语翻译过来怎么解释？ (4/793) MVP41 2011-04-20 2011-04-20 15:18:20 by lihb734
[NBO/AIM] 化学键离子性计算 2 (0/611) liuyusuc 2011-04-20 2011-04-20 12:27:05 by liuyusuc
[NBO/AIM] NBO中电荷转移分析 3 (1/1089) saradzj 2011-04-19 2011-04-19 13:59:41 by qzhaosdu
[NBO/AIM] 【讨论】How reliable is the NBO analysis? (4/591) dewpoint 2011-04-13 2011-04-15 15:02:29 by yongleli
[NBO/AIM] 【求助】NBO小问？ (6/574) peterman 2009-07-25 2011-04-13 10:53:31 by a樱木花道
[NBO/AIM] 【求助】NBO delete orbital 的问题 (3/530) greatsea1212 2011-04-08 2011-04-09 12:37:35 by greatsea1212
[NBO/AIM] 【求助】在对porphyrin-Magnesium进行NBO后，发现porphyrin是donor，不怎么合常理。 (2/230) kathy2008 2011-04-05 2011-04-05 12:55:55 by boylc789
[NBO/AIM] 【求助】如何产生gmsnbo.f这个文件 (1/189) kathy2008 2011-03-25 2011-04-02 18:56:57 by ifmc1234
[NBO/AIM] 【求助】算AIM时有如此信息严重么？Significant integration error for the following 10 (1/386) xiaowandouer 2011-03-27 2011-03-28 10:09:12 by xiaowandouer
[NBO/AIM] 【求助】急切请教大侠AIM 2000 结果分析电荷密度问题，多谢    ( 1 2 ) 3 (17/1409) 子橙 2010-07-12 2011-03-24 17:35:06 by xiaowandouer
[NBO/AIM] 【求助】有没有做激发态NBO分析的？ (6/709) tephoon78 2010-11-25 2011-03-23 09:54:05 by tephoon78
[NBO/AIM] 【分享】gaussian中得到波函数文件的方法在AIM进行下一步的计算 (评阅+1) (4/1751) miaoskypop 2009-03-13 2011-03-22 16:59:31 by xiaowandouer
[NBO/AIM] 【求助】Muliken atomic population 与 Lowdin atomic population 有什么区别 (1/452) kathy2008 2011-03-21 2011-03-21 17:42:26 by sobereva
[NBO/AIM] 【求助】如何解读波函数文件 (3/405) cwdong8309 2011-03-14 2011-03-16 08:17:36 by coolrainbow
[NBO/AIM] 【求助】我想问一下怎么计算分子间作用力，分子间氢键 DMF 氨基酸 (2/1210) speio 2011-03-09 2011-03-09 20:30:09 by fooo
[NBO/AIM] 【求助】NBO的定义 50 (1/525) 长乐未央 2011-03-07 2011-03-08 09:34:03 by zln1987
[NBO/AIM] 【求助】NBO分析分子间作用力 2 (3/567) huying15 2010-09-11 2011-02-25 15:13:58 by huying15
[NBO/AIM] 【求助】请教用NBOVIEW画等高线图问题 8 (9/814) zhengwl350 2010-09-21 2011-02-18 13:21:24 by boylc789
[NBO/AIM] 【求助】求助NBO3.5和NBO5.0的手册，以及GENNBO的说明书 (3/779) liuyusuc 2011-01-07 2011-02-06 14:21:50 by boylc789
[NBO/AIM] gaussian 计算错误。望大虾们帮助 3 (2/270) zhang302 2010-12-09 2011-01-30 11:06:54 by yjcmwgk
[NBO/AIM] 【求助】L607错误 (1/280) hustyh0801 2010-12-26 2010-12-29 15:54:57 by boylc789
[NBO/AIM] 【求助】请问各位前辈，AIM电荷怎么计算？ 12 (3/872) zhang302 2010-12-22 2010-12-23 10:04:26 by zhang302
[NBO/AIM] 【求助】E2的计算 (8/659) huying15 2010-09-14 2010-12-20 10:02:24 by green1986
[NBO/AIM] 【求助】.47文件如何产生    ( 1 2 ) (13/1407) 越走越远 2010-06-20 2010-12-19 16:18:46 by green1986
[NBO/AIM] 【求助】求助NBO输出结果中的化学键 (2/355) cailianguo 2010-12-19 2010-12-19 14:08:23 by gmy1990
[NBO/AIM] 【求助】如何算charge transfer？ (1/377) ckch2005 2010-12-19 2010-12-19 13:22:55 by abbott
[NBO/AIM] 【讨论】分子间相互作用稳定化能疑问 (0/270) 172304 2010-12-16 2010-12-16 20:02:44 by 172304
[NBO/AIM] 【求助】nbo分析 (3/721) bluejh 2010-12-07 2010-12-08 17:27:45 by green1986
[NBO/AIM] 【求助】NBO中的electron density (10/1128) sunxiuxin 2010-11-27 2010-11-30 08:13:07 by sunxiuxin
[NBO/AIM] 【求助】三中心两电子键 2 (2/747) lixue510 2010-11-10 2010-11-26 01:14:48 by papaxia
[NBO/AIM] [专家] 【讨论】奇怪的铍-氧键级 (6/1833) beefly 2010-02-06 2010-11-25 11:52:49 by tiechong
[NBO/AIM] 【求助】关于NBO输出结果 (1/313) liuzhengjun0427 2010-11-22 2010-11-25 09:22:43 by liuzhengjun0427
[NBO/AIM] 【求助】请问国内谁购买了AIMALL的版权 (2/409) lihb734 2010-11-18 2010-11-18 09:21:09 by tiechong
[NBO/AIM] 【求助】有关nbo输出结果的问题 (2/285) liuzhengjun0427 2010-11-14 2010-11-15 09:07:04 by liuzhengjun0427
[NBO/AIM] 【求助】NBO输出求助 (3/971) hliu 2010-11-09 2010-11-10 10:18:45 by lihb734
[NBO/AIM] 【求助】Gaussian03运算出错 (3/774) shontao 2009-12-24 2010-11-02 18:04:38 by hexinchem
[NBO/AIM] 【求助】NBO5.0计算E2 10 (4/1200) sophia_999 2010-09-04 2010-10-28 13:09:00 by beefly
[NBO/AIM] 【分享】GENNBO排队小程序 (评阅+5) (3/581) miaoskypop 2010-08-22 2010-10-16 15:08:01 by qzhaosdu
[NBO/AIM] 【求助】新手求助 49 (2/215) juencai 2010-10-11 2010-10-13 18:34:05 by juencai
[NBO/AIM] 【求助】200 重金求购软件 NBO5.0 以及NBOView (8/1896) linzhongaiguo 2010-08-20 2010-10-06 16:48:01 by wh-32290
[NBO/AIM] 【求助】NBO计算氢键 (9/925) huying15 2010-09-06 2010-09-24 12:53:08 by huying15
[NBO/AIM] 【求助】有关NBO分析求高人指教 3 (6/658) niuwenyu86 2010-05-19 2010-09-18 12:46:56 by erylingjet
[NBO/AIM] 【求助】请教各位大侠AIM2000能不能潜入DMOL3算出的的波函数？ (1/261) uvv2010 2010-09-14 2010-09-15 01:28:26 by beefly
[NBO/AIM] 【讨论】求助 (2/316) ds871820 2010-05-05 2010-08-19 11:42:19 by zhaoxia2501
[NBO/AIM] 【求助】编译后的NBO5出错 (2/498) hairan 2010-08-07 2010-08-12 13:57:34 by beefly
[NBO/AIM] 【求助】nrt 出错 (4/518) sand1314 2010-06-26 2010-08-12 12:15:17 by ChemiAndy
[NBO/AIM] 【讨论】Gaussian03里的NBO3.1功能不全 (评阅+3) (0/267) tiechong 2010-08-09 2010-08-09 08:59:53 by tiechong
[NBO/AIM] 【求助】求助:NBO3.0的参考文献 (0/330) sunning781 2010-08-07 2010-08-07 11:42:54 by sunning781
[NBO/AIM] 【讨论】AIM2000有免费的版本吗 (5/740) sophia_999 2010-08-04 2010-08-06 20:17:38 by snoopyzhao
[NBO/AIM] 【求助】NBO分析如何得到一个化合键中的离子键和共价键各占百分之几 (7/1542) chemniu 2010-07-30 2010-07-31 14:52:17 by chemniu
[NBO/AIM] 【求助】有没有介绍NBO基础理论的书籍或好的文章。    ( 1 2 ) (10/1187) tephoon78 2010-05-05 2010-07-27 00:07:05 by Miracle922
[NBO/AIM] 【求助】谁见过用NBO里的NLMO的文章 (0/615) tiechong 2010-07-17 2010-07-17 04:44:07 by tiechong
[NBO/AIM] 【讨论】NBO分析中如何判断π相互作用?    ( 1 2 ) (15/1919) vigaryang 2010-07-03 2010-07-11 12:01:13 by c111999
[NBO/AIM] 【讨论】求助 (2/297) 大水牛3377 2010-06-13 2010-07-06 15:49:57 by xiaoma541
[NBO/AIM] 【求助】请教有关NBO计算问题 2 (1/467) niuwenyu86 2010-06-30 2010-07-03 21:01:54 by ter20
[NBO/AIM] 【求助】NBO方法计算的结果与理论的竟然完全相反是怎么回事呢？    ( 1 2 ) (12/1392) happyly3882 2010-05-14 2010-06-28 22:00:16 by beefly
[NBO/AIM] 【求助】nrt 错误信息 (1/272) sand1314 2010-06-26 2010-06-28 10:52:27 by sand1314
[NBO/AIM] 【求助】nbo 5.0 官方手册 (3/702) sand1314 2010-06-26 2010-06-26 17:07:10 by sand1314
[NBO/AIM] 【求助】natural bond order    ( 1 2 ) (11/1013) sand1314 2010-06-23 2010-06-26 00:20:28 by sand1314
[NBO/AIM] 【求助】NBO轨道分析中的Donor和Acceptor (4/1099) ZCY2009 2010-04-28 2010-06-24 20:13:45 by niuwenyu86
[NBO/AIM] 【求助】大家帮忙看看这个分子，NBO分析出来的有点问题。 (0/268) qzhaosdu 2010-06-10 2010-06-10 15:53:28 by qzhaosdu
[NBO/AIM] 【求助】关于用NBO分析 6 (5/750) caozf 2010-05-28 2010-06-07 08:59:26 by 250260882
[NBO/AIM] 【求助】AIM2000 Hbcp (2/393) zhangnina626 2010-06-06 2010-06-06 22:04:40 by zhangnina626
[NBO/AIM] 【求助】aim2000 计算结果怎么理解 10 (4/814) guessdream 2010-05-24 2010-06-03 18:35:50 by qzhaosdu
[NBO/AIM] 【求助】aim2000 计算后如何处理图形，2D图 9 (2/430) guessdream 2010-05-21 2010-06-03 11:05:35 by spring965
[NBO/AIM] 【求助】初学者请教 9 (1/314) 5229751 2010-05-18 2010-05-28 19:59:54 by forestwolf9291
[NBO/AIM] 【求助】AIM计算要版权不？ (7/887) il701 2010-05-18 2010-05-19 09:35:54 by snoopyzhao
[NBO/AIM] 【求助】有人在高斯上算过核磁位移吗？NBO算法算电荷用HF/6-311++g** 会不会过时了？ (1/593) happyly3882 2010-05-13 2010-05-14 10:13:44 by Jasminer
[NBO/AIM] 【求助】如果对P character进行相关的分析 3 (1/324) lorna639 2010-05-08 2010-05-09 20:53:26 by lorna639
[NBO/AIM] [专家] 【分享】支持ECP的AIM程序 (0/267) beefly 2010-05-07 2010-05-07 14:45:20 by beefly
[NBO/AIM] 【求助】用NBO5.0时怎样产生.47文件？ (2/385) liweiyi198 2010-04-09 2010-05-04 19:34:20 by TaoB
[NBO/AIM] 【求助】AIM计算之后如何分析？盼高手解答 (5/1082) qida 2009-12-13 2010-04-25 09:43:57 by qida
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