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[热点] 0856，材料与化工321分求调剂 大馋小子 2026-04-02 刚刚
[其他] 一个HF方法计算H2键长的matlab代码（一百多行） (2/1185) fangyongxinxi 2011-12-05 2011-12-06 11:53:05 by dhqdqk
[其他] 我败了    ( 1 2 3 ) (22/1684) wxb711320 2011-12-04 2011-12-06 09:40:49 by songh_cn
[量化新手 ] [已完结]求会高斯的高手指点，求找过渡态的建议 (2/476) 神二代 2011-12-04 2011-12-06 00:29:59 by chuanan027
[Gaussian] [已完结]高斯输入文件出错 (6/1651) keepss 2011-12-04 2011-12-05 21:15:21 by xiongb123456
[量化新手 ] [已完结]“DXMAXT = 0.01 * N”怎么理解？ (0/396) gebitingqin 2011-12-05 2011-12-05 20:43:34 by gebitingqin
[Gaussian] [已完结]求问 g09的 bashrc怎么写    ( 1 2 ) (18/2173) NUPT 2011-11-29 2011-12-05 16:43:43 by usoado
[量化新手 ] [已完结]求ppt模板 (0/238) 啸月天狼 2011-12-05 2011-12-05 15:50:32 by 啸月天狼
[ADF/Dal ] [已完结]ADF的并行计算 (2/468) 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 (0/522) slay3 2011-12-04 2011-12-05 09:37:54 by slay3
[Gaussian] [已完结]电荷相同，多重度不同的两个化合物可以做QST2找过渡态吗？ (5/1389) takeeasy123 2011-12-02 2011-12-05 09:01:43 by takeeasy123
[NBO/AIM] [已完结]Error: Unrecognizable keyword >> CMO <<怎么办？ (2/920) 若只如初见 2011-12-04 2011-12-05 08:09:31 by lihb734
[Gaussian] [已完结]gaussview原子标号的问题 (3/1538) ldzh0531 2011-12-02 2011-12-04 23:19:05 by 书万里
[Gaussian] [已完结]pcm 计算301出错 (2/438) liyongxiu 2011-12-03 2011-12-04 21:35:15 by liyongxiu
[Gaussian] [已完结]该物质是对称结构，计算结果却是HOMO在左，LUMO在右。 (9/1707) Illusionist 2011-12-03 2011-12-04 15:28:51 by Jasminer
[Gaussian] [已完结]怎么样计算分子的三重态 (0/1134) 迷茫的小飞侠 2011-12-04 2011-12-04 10:43:06 by 迷茫的小飞侠
[Gaussian] [已完结]B3LYP/6-311+G(2d),SDD    ( 1 2 ) (10/1738) xchem6628 2011-12-02 2011-12-04 07:35:14 by agent99
[Linux应 ] [已完结]请问在linux下，ps x能发现有进程，但是top下却没发现。这是一种什么情况？继第一帖 (3/1278) gujing136 2011-12-02 2011-12-04 01:50:11 by pwzhou
[Gaussian] [已完结]请问，质子的能量如何计算？ (2/1446) wanlichuan 2011-12-03 2011-12-04 00:18:54 by wangth0921
[其他] 一个绝对纠结的问题（问题1）和一个绝对蛋疼的问题（问题2） (5/1092) yjcmwgk 2011-12-03 2011-12-03 22:25:41 by nkguob
[其他] [已完结]求氢氧根和二价氧离子的HOMO能量 (0/951) xjzhang 2011-12-03 2011-12-03 15:31:47 by xjzhang
[Gaussian] Gaussian的计算结果，大家一般用啥软件来做构型图？    ( 1 2 ) (13/1687) xiaowandouer 2011-11-23 2011-12-03 13:09:15 by tangbaowei
[Gaussian] [已完结]求助高斯自带例子H3CO---->H2COH的计算 (2/878) tiramisu0217 2011-11-15 2011-12-03 13:06:29 by tangbaowei
[Gaussian] [已完结]TD计算出来的UV-VIS··搞不懂啊··求助 (2/547) Illusionist 2011-12-03 2011-12-03 10:41:12 by 飘逸110
[Linux应 ] [已完结]请问在linux系统下，ps x能发现有进程，但是top下却没发现。这是一种什么情况呢？    ( 1 2 3 ) (26/2295) gujing136 2011-12-01 2011-12-03 09:37:10 by wikipad
[Gaussian] [已完结]一个用内坐标写的输入文件错误，希望能有人指点我 (5/977) takeeasy123 2011-11-30 2011-12-03 08:31:19 by takeeasy123
[Gaussian] [已完结]新手求助ECD计算输入语句 (1/488) furoc 2011-12-02 2011-12-03 07:55:36 by furoc
[Gamess/ ] 【求助】Gamess 下如何部分优化 (4/889) kathy2008 2011-02-14 2011-12-03 02:31:49 by fwang2011
[HyperCh ] NWchem的MCSCF居然不支持多根计算 (1/569) nwwolfchj 2011-12-02 2011-12-02 20:35:38 by Jasminer
[Gaussian] [已完结]求问一般优化小分子结构用什么方法和机组    ( 1 2 ) (10/4086) rui_1 2011-06-15 2011-12-02 17:00:34 by yjcmwgk
[量化新手 ] [已完结]磷光发射的计算 (1/620) 迷茫的小飞侠 2011-12-02 2011-12-02 16:44:23 by 迷茫的小飞侠
[其他] 欢迎投票评选计算模拟区我最喜爱的管理员 (0/197) cenwanglai 2011-12-02 2011-12-02 15:37:38 by cenwanglai
[Gaussian] [已完结]L301错误    ( 1 2 ) (11/1282) lion0528 2011-11-30 2011-12-02 14:29:56 by lion0528
[其他] 关于发表文章的地址问题。 (7/1655) yjcmwgk 2011-12-01 2011-12-02 12:36:47 by 四裤全输
[Gaussian] [已完结]【求助】gview向Gaussian03提交submit是灰色是什么问题？ (1/459) keepss 2011-12-02 2011-12-02 12:03:10 by keepss
[Gaussian] [已完结]过渡态优化出错，急！    ( 1 2 ) (11/982) sigma92286 2011-11-29 2011-12-02 10:46:02 by bluesky8588
[NBO/AIM] [已完结]NBO计算出现的问题 (0/954) huosuhong 2011-12-02 2011-12-02 08:49:57 by huosuhong
[Gaussian] [已完结]Wrong number of Negative eigenvalues: Desired= 1 Actual= 2 (0/953) ryxiao 2011-12-01 2011-12-01 23:30:05 by ryxiao
[Gamess/ ] [已完结][关贴]用高斯计算NO2，N2O4,N2O5的稳定性 (0/679) etin 2011-12-01 2011-12-01 23:00:06 by etin
[文章故事] [已完结]如何回复审稿人的有关熵的问题 (2/684) hee_csu 2011-12-01 2011-12-01 20:26:27 by hee_csu
[Gaussian] [已完结]如何用高斯程序计算不规则分子的分子半径？ (0/287) wutongshun 2011-12-01 2011-12-01 20:25:55 by wutongshun
[Gaussian] 有时候b3lyp比mp2准啊 (4/1017) tiechong 2011-11-28 2011-12-01 17:46:27 by boylc789
[Gaussian] [已完结]好心人有gaussian吗 (0/206) lplunanjing 2011-12-01 2011-12-01 17:41:59 by lplunanjing
[量化新手 ] [已完结]求助，急急急！！！ (0/347) jqdml 2011-12-01 2011-12-01 16:46:20 by jqdml
[Gaussian] [已完结]不同多重度的反应物得到的产物应该是什么多重度？ (0/289) lwg020810 2011-12-01 2011-12-01 15:42:09 by lwg020810
[ADF/Dal ] [已完结]求ADF最新的license文件 (1/659) handsome_yj 2011-11-30 2011-12-01 12:45:41 by handsome_yj
[Gaussian] [已完结]大家动员一下帮忙把iop 翻译成中文版吧 (4/1258) I08140321 2011-11-30 2011-12-01 12:00:24 by I08140321
[Gaussian] [已完结][关贴]ONIOM MM function not complete (0/1057) mengyan142 2011-12-01 2011-12-01 11:02:22 by mengyan142
[Gaussian] [已完结]L801错误，请高手解答 (1/732) xuetong5207 2011-12-01 2011-12-01 09:59:04 by xuetong5207
[量化图形 ] [已完结]如何在gaussianview中设置超氧阴离子的参数 (1/500) zhangxin8852 2011-11-30 2011-12-01 09:43:54 by 心静如水851
[Gaussian] [已完结]gauss输入文件中那个原子X是什么意思 (3/1028) lstone03 2011-11-30 2011-12-01 08:28:40 by tudoudigua
[其他] 用Spartan 10做DFT的计算是否足够或者可以？ (0/446) zzyzzy 2011-12-01 2011-12-01 07:49:09 by zzyzzy
新子版“文章故事”开张了 (7/1724) zzy870720z 2011-11-03 2011-11-30 21:19:03 by chem.d.luffy
[Gaussian] [已完结]初学者求解关于高斯09 TDDFT 计算遇到的输出问题 (0/528) skkuwei 2011-11-30 2011-11-30 20:12:39 by skkuwei
[Gaussian] [已完结]G03或G09中G3/99基组的使用 (0/272) licaiqin 2011-11-30 2011-11-30 16:27:23 by licaiqin
[其他] 博士后+项目聘用职位数名 (0/338) xingfagao 2011-11-30 2011-11-30 14:39:14 by xingfagao
[Gaussian] [已完结]势能面扫描求助 (1/519) 飘逸313 2011-11-07 2011-11-30 14:13:25 by Captain-Jack
[Gaussian] [已完结]含有多Cp 环的物质优化 虚频去除 (1/404) luoronggen 2011-09-16 2011-11-30 13:39:58 by 大脸伟
[其他] [已完结]LiF (0/349) 贵在坚持 2011-11-29 2011-11-30 13:39:41 by 贵在坚持
[其他] [已完结]过渡态 (0/380) qujinfeng 2011-11-29 2011-11-30 13:39:03 by qujinfeng
[Gaussian] [已完结]G09中的荧光计算部分的例子，第四部分 (2/556) Illusionist 2011-11-30 2011-11-30 11:44:44 by Illusionist
[其他] 请教高手 用gaussian计算的时候总是死在1002是怎么回事？ (1/608) 8023lxj 2011-11-30 2011-11-30 11:32:11 by aidonkey
[其他] [已完结]Minnesota 11 meta-GGA family (5/1272) mscic 2011-11-28 2011-11-30 09:57:01 by yflchx
[Gaussian] [已完结]怎么用gaussian计算不同激发波长下拉曼光谱 (5/1756) iacwj03 2011-06-16 2011-11-29 19:38:47 by 香水百合519
[其他] 关于发中文期刊的周期    ( 1 2 3 ) (21/2501) xmdxn 2011-11-24 2011-11-29 15:48:00 by chongqingswu
[其他] Gaussian黑名单！鄙视一下！    ( 1 2 ) (评阅+6) (10/2781) nwwolfchj 2011-11-28 2011-11-29 13:36:34 by nwwolfchj
[Gaussian] LiH+NH3BH3的过渡态，快崩溃了 (14/1573) Trouton 2011-11-28 2011-11-29 13:05:29 by 毛毛爱奋斗
[ADF/Dal ] 【分享】ADF2009最新试用版license分享 (12/2400) wuy069 2010-04-15 2011-11-29 13:01:52 by 守护001
[Gaussian] [已完结]G09计算中断link died (3/1131) ldzh0531 2011-11-28 2011-11-29 11:39:28 by ldzh0531
[其他] 如何用cyclic voltammetry测dye的homo lumo? 大家有没有具体的Paper (0/377) xylxydtlsy 2011-11-28 2011-11-28 23:06:19 by xylxydtlsy
[ChemOff ] [已完结]能量最低计算结构 (1/789) 梦到内河 2011-11-27 2011-11-28 21:36:33 by 中科院苦行僧
[Gaussian] [已完结]高斯运算出错 (0/784) 会飞的种子 2011-11-28 2011-11-28 19:52:26 by 会飞的种子
[Gaussian] [已完结]新手求助关于G09计算小分子化合物旋光的时间问题 (0/359) furoc 2011-11-28 2011-11-28 19:45:51 by furoc
[量化新手 ] [已完结]分子为什么要有对称性呢? 求高人解除痛苦 (9/1461) northwater 2011-11-22 2011-11-28 17:01:53 by northwater
[Gaussian] [已完结]高斯的溶剂化模型选择？ (2/4990) xiongb123456 2011-11-28 2011-11-28 16:19:05 by iconsdkxq7
[其他] [已完结]0.36V vs Fc+/Fc 相对于真空能级是多少电子伏特 (0/706) jiji851 2011-11-28 2011-11-28 15:21:40 by jiji851
[Gaussian] [已完结]checkpoint file (2/303) dreamyeye 2011-11-22 2011-11-28 15:12:30 by dreamyeye
[Gaussian] [已完结]高斯03软件基础运用（gaussian03） (2/625) cqsg1987512 2011-11-27 2011-11-28 14:23:31 by linzhongaiguo
[Gaussian] [已完结]总是出现错误提示：Error termination in NtrErr: NtrErr Called from FileIO (5/2600) melody_sara 2011-11-24 2011-11-28 12:46:26 by melody_sara
[量化新手 ] [已完结]外行问题 (7/939) 383639931 2011-11-26 2011-11-28 12:29:04 by Jasminer
[量化新手 ] [已完结]请教怎么在高斯中使用b3lyp-d方法 (6/2182) 独唱团 2011-10-14 2011-11-28 10:07:56 by lihb734
[Gaussian] [已完结]G09计算问题 (9/2033) ldzh0531 2011-11-21 2011-11-28 09:54:29 by 雨晨田木
[Gaussian] [已完结]delete (VIP≥65535)(2/36) xiaopengs 2011-11-27 2011-11-27 21:31:10 by hlma_ustc
[Gaussian] 类似这种裂解反应怎样求速率常数 (1/444) gengcy 2011-11-27 2011-11-27 19:29:13 by wangth0921
[Gaussian] [已完结]怪异的虚频 (0/254) 316087021 2011-11-27 2011-11-27 17:11:14 by 316087021
[NBO/AIM] [专家] NBO已经出6.0版了？ (评阅+5) (6/2155) beefly 2011-11-25 2011-11-27 15:17:34 by kexueshi
[Gaussian] [已完结]m05-2x方法计算开壳层单态时需要用什么关键词 (0/410) licaiqin 2011-11-24 2011-11-27 10:49:10 by licaiqin
[Gaussian] [已完结]高斯计算mulinkin电荷 (1/1194) hoowenhao 2011-11-25 2011-11-27 10:47:30 by 阿泰斯特
[Gaussian] [已完结]求 gaussview 的linux版 (1/377) lyc2007 2011-11-27 2011-11-27 09:58:09 by ben_ladeng
[量化新手 ] [已完结]想算一个有机物分子的，需要多长时间？ (2/529) 383639931 2011-11-26 2011-11-27 09:07:43 by 汤汤.
[量化图形 ] 翻译求助，50金币，就一句话 (1/540) yjcmwgk 2011-11-26 2011-11-26 23:02:03 by yalefield
[Gaussian] [已完结][关贴]求gaussview5.08 (3/785) wsyfenglang 2011-11-23 2011-11-26 21:43:57 by tudoudigua
[Gaussian] [已完结][关贴]请问高斯计算石墨烯使用哪个机组最合适？ (2/1593) listarstar 2011-11-25 2011-11-26 18:21:29 by listarstar
[量化图形 ] [已完结]请问量化计算后的紫外和荧光输出文件用什么软件使其图形可视化？ (2/623) licy835 2011-11-19 2011-11-26 16:05:02 by licy835
[Gaussian] [已完结]电子数判断 (3/656) 可米kemi 2011-11-22 2011-11-26 14:40:48 by zhongrl898
[Gaussian] [已完结]G09中碘的基组输入问题 (6/2292) ldzh0531 2011-11-24 2011-11-25 23:08:31 by wangth0921
[其他] [已完结]请教：在集群上提交任务后无法开始运行 (4/1121) rainandstar 2011-11-24 2011-11-25 13:43:03 by rainandstar
[量化新手 ] [已完结]分子点群乘法表 (2/2644) hakuna 2011-11-25 2011-11-25 13:23:56 by hakuna
[Gaussian] [已完结]计算过渡态求助 (4/893) liuliuji 2011-11-24 2011-11-25 12:12:08 by ryxiao
[Gaussian] [已完结][关贴]关于BλLYP这个泛函的高斯输入 (1/371) yxk8712 2011-11-23 2011-11-25 10:26:44 by yxk8712
[量化新手 ] [已完结]势能面扫描求助 (1/572) gebitingqin 2011-11-23 2011-11-25 09:59:36 by gebitingqin
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