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[热点] 售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急 1uaZt2kAZj2S 2026-11-01 刚刚
[Gaussian] [已完结]请大牛帮忙解决一下这个错误的问题 (2/761) colinmacrean 2011-12-06 2011-12-07 00:29:58 by zhangmt
[Gaussian] [已完结]溶剂效应模型求助 (2/569) xiongb123456 2011-11-28 2011-12-06 21:42:20 by emmaxue
[其他] 量化计算的文章一般可以发那些杂志 (7/2853) 贺仪 2011-11-02 2011-12-06 21:40:39 by smallfour
[其他] 【分享】molecular structure-theochem马上要改名为Computational and Theoretical Ch (7/2075) tiechong 2010-10-21 2011-12-06 21:37:04 by smallfour
[其他] 【求助】请教下 谁考博的时候考过数学? (2/475) 3867826 2011-01-18 2011-12-06 21:03:00 by duanwu655
[Gaussian] [已完结]如何Scan两分子距离引起的能量差 (5/899) Illusionist 2011-12-05 2011-12-06 14:33:53 by lion0528
[Molpro/ ] [已完结]如何用molpro计算氢分子的激发态能量 (1/804) wenwuxu8992 2011-12-06 2011-12-06 14:29:15 by 华南神兽
[Gaussian] [已完结]gaussian09结构优化问题 linux系统 (0/356) truelove 2011-12-06 2011-12-06 13:27:15 by truelove
[Gaussian] [已完结][关贴]高斯如何可以比较酸性大小 (0/656) kyber 2011-12-06 2011-12-06 12:01:20 by kyber
[其他] 一个HF方法计算H2键长的matlab代码（一百多行） (2/1371) fangyongxinxi 2011-12-05 2011-12-06 11:53:05 by dhqdqk
[其他] 我败了    ( 1 2 3 ) (22/2044) 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 (2/589) 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 (6/1824) 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？ (0/444) 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 ) (18/2579) NUPT 2011-11-29 2011-12-05 16:43:43 by usoado
[量化新手 ] [已完结]求ppt模板 (0/274) 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 (2/540) 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 (0/592) 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？ (5/1691) takeeasy123 2011-12-02 2011-12-05 09:01:43 by takeeasy123
[NBO/AIM] [已完结]Error: Unrecognizable keyword >> CMO <<怎么办？ (2/1033) 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 (3/1751) ldzh0531 2011-12-02 2011-12-04 23:19:05 by 书万里
[Gaussian] [已完结]pcm 计算301出错 (2/582) 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。 (9/2381) 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 (0/1178) 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 ) (10/2116) 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 (3/1476) 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？ (2/1529) 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） (5/1285) 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 (0/1048) 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 ) (13/2191) 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 (2/958) 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 (2/619) 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 ) (26/2668) 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 (5/1221) 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 (1/555) furoc 2011-12-02 2011-12-03 07:55:36 by furoc
[Gamess/ ] 【求助】Gamess 下如何部分优化 (4/1006) 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 (1/644) 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 ) (10/4665) 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 (1/709) 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 (0/227) cenwanglai 2011-12-02 2011-12-02 15:37:38 by cenwanglai
[Gaussian] [已完结]L301错误    ( 1 2 ) (11/1487) 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。 (7/2120) 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？ (1/515) 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 ) (11/1266) 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 (0/1029) 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 (0/1008) 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 (0/748) 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 (2/843) 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？ (0/338) wutongshun 2011-12-01 2011-12-01 20:25:55 by wutongshun
[Gaussian] 有时候b3lyp比mp2准啊 (4/1239) tiechong 2011-11-28 2011-12-01 17:46:27 by boylc789
[Gaussian] [已完结]好心人有gaussian吗 (0/248) lplunanjing 2011-12-01 2011-12-01 17:41:59 by lplunanjing
[量化新手 ] [已完结]求助，急急急！！！ (0/406) 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？ (0/326) 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 (1/704) 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 (4/1465) I08140321 2011-11-30 2011-12-01 12:00:24 by I08140321
[Gaussian] [已完结][关贴]ONIOM MM function not complete (0/1102) mengyan142 2011-12-01 2011-12-01 11:02:22 by mengyan142
[Gaussian] [已完结]L801错误，请高手解答 (1/850) 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 (1/573) 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 (3/1311) 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？ (0/508) zzyzzy 2011-12-01 2011-12-01 07:49:09 by zzyzzy
新子版“文章故事”开张了 (7/2171) 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 (0/586) 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 (0/316) 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 (0/388) xingfagao 2011-11-30 2011-11-30 14:39:14 by xingfagao
[Gaussian] [已完结]势能面扫描求助 (1/575) 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 (1/505) luoronggen 2011-09-16 2011-11-30 13:39:58 by 大脸伟
[其他] [已完结]LiF (0/395) 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 (0/427) 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 (2/687) 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？ (1/665) 8023lxj 2011-11-30 2011-11-30 11:32:11 by aidonkey
[其他] [已完结]Minnesota 11 meta-GGA family (5/1441) 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 (5/2341) 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 ) (21/3026) 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) (10/3241) nwwolfchj 2011-11-28 2011-11-29 13:36:34 by nwwolfchj
[Gaussian] LiH+NH3BH3的过渡态，快崩溃了 (14/2051) 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 (12/2773) 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 (3/1269) 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 (0/418) xylxydtlsy 2011-11-28 2011-11-28 23:06:19 by xylxydtlsy
[ChemOff ] [已完结]能量最低计算结构 (1/853) 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 (0/847) 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 (0/426) 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 (9/1957) 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？ (2/5087) 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 (0/759) jiji851 2011-11-28 2011-11-28 15:21:40 by jiji851
[Gaussian] [已完结]checkpoint file (2/377) 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） (2/719) 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 (5/3044) 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 (7/1217) 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 (6/2563) 独唱团 2011-10-14 2011-11-28 10:07:56 by lihb734
[Gaussian] [已完结]G09计算问题 (9/2375) 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 (1/526) gengcy 2011-11-27 2011-11-27 19:29:13 by wangth0921
[Gaussian] [已完结]怪异的虚频 (0/323) 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) (6/2558) 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 (0/454) licaiqin 2011-11-24 2011-11-27 10:49:10 by licaiqin
[Gaussian] [已完结]高斯计算mulinkin电荷 (1/1391) hoowenhao 2011-11-25 2011-11-27 10:47:30 by 阿泰斯特
[Gaussian] [已完结]求 gaussview 的linux版 (1/444) 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？ (2/610) 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 (1/644) yjcmwgk 2011-11-26 2011-11-26 23:02:03 by yalefield
[Gaussian] [已完结][关贴]求gaussview5.08 (3/879) wsyfenglang 2011-11-23 2011-11-26 21:43:57 by tudoudigua
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