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[热点] Cas 72-43-5需要30g,定制合成,能接单的留言 purpleapple 2026-01-13 刚刚
[其他] 过年散金币!    ( 1 2 ) (评阅+10) (54/2286) agent99 2012-01-22 2012-02-14 13:30:47 by hyuxiong
[Gaussian] 拜师。。。 (1/308) jingetiema61 2012-02-13 2012-02-14 06:08:05 by 独唱团
[Gaussian] 【绘图】求助用GV怎么画盐分子    ( 1 2 ) (13/2023) liuxianlv 2010-07-05 2012-02-13 19:31:20 by liaosdu
[Gaussian] 【求助】如何将CIF文件通过mercury转化成GV识别的文件    ( 1 2 ) (12/1847) 发烧趁早 2010-09-27 2012-02-13 19:28:15 by liaosdu
[NBO/AIM] NBO计算对于键型判断 (8/2570) liuyusuc 2011-05-21 2012-02-11 16:23:44 by guashi521
[Molpro/ ] 【求助】CASSCF 一系列的知识。。。讲解 (7/1394) gothicfat 2010-06-21 2012-02-10 17:00:18 by 906980368
[Molpro/ ] 【求助】molcas做过渡态的问题 (2/477) wzslg 2010-04-20 2012-02-09 20:19:49 by wzslg
[Gaussian] gaussian可以计算分子的电子传输能力吗? (14/1260) yumu0411 2012-01-16 2012-02-09 16:53:47 by liupei87
[Semi-em ] 【求助】求助 关于AM1优化分子结构 (5/1012) fljfly 2009-12-13 2012-02-09 16:32:13 by fljfly
[其他] 2012国内有啥好玩的的会议不? (5/1110) yjcmwgk 2012-02-08 2012-02-09 00:10:49 by yoghurt117
[其他] 量子点的请关注 (4/589) huanr 2011-12-23 2012-02-08 20:24:53 by 雪花飘散
[Gaussian] 做IRC跟踪时,出现 Logic error in SftOpn (0/335) sch 2012-02-08 2012-02-08 11:38:08 by sch
[量化新手 ] 帮忙翻译审 (2/412) s090604054 2012-02-07 2012-02-07 20:03:57 by gmy1990
[Gaussian] gaussian与有机合成的组合 (37/2615) yumu0411 2012-01-08 2012-02-07 17:40:26 by yumu0411
[Linux应 ] 开辟【集群配置与管理】分类的讨论 (0/283) cenwanglai 2012-02-07 2012-02-07 09:48:35 by cenwanglai
[其他] 本科课本上那种用“单电子单轨道单重激发”来解释紫外光谱是彻底的伪科学    ( 1 2 ) (10/2241) 鱼妃 2012-02-04 2012-02-06 00:39:01 by laser2000
[量化新手 ] 【求助】如何读取输出文件中的键级 (4/2052) Hansongtao 2010-11-18 2012-02-05 17:52:41 by s090604054
[ADF/Dal ] 如何在ADF中使用片断 (1/412) naya221 2011-12-08 2012-02-04 17:31:58 by syding1531
[ADF/Dal ] ADF 运行出错,求解? (2/2099) naya221 2011-12-08 2012-02-04 17:09:17 by syding1531
[文章故事] Poetry by Ronald Hoffman (2/588) cavediger 2012-02-02 2012-02-04 16:42:07 by realac
[Gaussian] gaussian的linux系统 (6/982) skwang 2012-01-09 2012-02-02 01:23:45 by souledge
[Linux应 ] 总算吧linux jabref弄好了 (评阅+2) (1/836) nyzhaoyin 2012-01-31 2012-01-31 20:05:18 by xuxm03
[其他] 雷鸣之声:回到学校了!! (评阅+2) (7/1108) yjcmwgk 2012-01-30 2012-01-31 09:56:34 by Blake2010
[其他] 选题很重要啊 (1/393) yjcmwgk 2012-01-30 2012-01-30 20:57:41 by 见证2011
[Gaussian] [专家] 有趣的Gaussian程序广告 (评阅+6) (8/1209) beefly 2012-01-28 2012-01-30 01:43:04 by lee-town
[Gaussian] 直接用优化所得的能量计算活化能与做单点能计算后所得能量计算,两者差距能有多大? (1/895) beyondjun 2011-12-28 2012-01-26 22:14:37 by nyzhaoyin
[其他] 给量化版增加人气,散金230    ( 1 2 3 4 5 6 .. 7 ) (评阅+5) (326/3195) yjcmwgk 2011-12-30 2012-01-26 20:07:25 by 小红豆
[其他] 好容易有机会上网了,冒个泡 (评阅+5) (2/305) coolrainbow 2012-01-20 2012-01-26 20:06:34 by yjcmwgk
[Gaussian] 如何运用AIMALL判定体系内是否存在氢键 (2/444) amanda0_0ma 2012-01-17 2012-01-26 16:19:32 by sobereva
[Gaussian] [关贴]RDFT和UDFT的单重态能量一样 (2/932) tiechong 2012-01-25 2012-01-26 11:49:55 by wangth0921
[Gaussian] 关于紫外计算 (1/342) 461018249 2012-01-15 2012-01-23 10:40:30 by ter20
[NBO/AIM] We lose bader???    ( 1 2 ) (12/1198) hamedchegini 2012-01-18 2012-01-23 09:31:38 by 任创
[Gaussian] 跃迁偶极矩的nstate到底是那几个根? (0/374) ilxmc 2012-01-06 2012-01-22 17:08:23 by ilxmc
[其他] quantum chemistry, theoretical chemistry 和 computational chemistry (3/1048) kerro 2011-12-27 2012-01-22 17:02:51 by 雨晨田木
[量化图形 ] 【求助】我在设置基组6-31G*时,找不到上边的“ * ”怎么办    ( 1 2 ) (15/1627) tangbaowei 2010-07-16 2012-01-19 12:17:22 by nyzhaoyin
[其他] 昨天晚上梦见自己发了一篇JACS,还是反应方面的 (12/1204) 雨晨田木 2012-01-17 2012-01-18 15:48:37 by biaoxuetj
[Gaussian] 如何让irc曲线继续往前走 (2/705) takeeasy123 2012-01-12 2012-01-17 13:32:43 by takeeasy123
[Gaussian] 关于量化计算写文章投稿的问题 (14/2416) liuliuji 2012-01-15 2012-01-17 12:50:11 by wangth0921
[其他] 科研合作 (1/339) hotdog2008138 2012-01-13 2012-01-14 08:58:26 by valenhou001
[其他] 一个杂志列表,可以暂时作为投稿顺序指南,仅限计算化学 (7/2644) yjcmwgk 2012-01-12 2012-01-13 09:29:38 by qyyos
[其他] 【讨论】量子化学入门用什么参考书较好?    ( 1 2 ) (10/3498) 寒雨人生 2011-02-08 2012-01-11 17:30:39 by huangfu1111
[Gaussian] 【求助】两分子平面 如何调整其堆积角度? (4/1307) 雪狼乖乖 2010-09-26 2012-01-10 19:41:13 by yumu0411
[其他] 【求助】结构化学题求助 (5/1134) nywyf 2011-03-09 2012-01-08 19:04:14 by wld2000
[其他] 关于轨道成分分析程序的比较 (1/433) ZJboy 2012-01-07 2012-01-08 13:18:46 by xwy1027
[Gaussian] Gaussian09 的一个TDDFT的bug (3/788) coolrainbow 2012-01-06 2012-01-08 04:21:19 by tiechong
[Gaussian] 【求助】高斯计算热力学数据结果分析中遇到的问题 (6/1806) 20928140 2010-11-16 2012-01-07 08:35:50 by carlwang8866
[其他] 大家看这两片文章 (6/924) nyzhaoyin 2012-01-04 2012-01-06 10:04:53 by fangyongxinxi
[Linux应 ] OpenSUSE 11.4总提示kdeinit无法 (2/480) yoghurt117 2012-01-04 2012-01-06 09:49:32 by yoghurt117
[Gaussian] 【求助】关于第一激发态跃迁能??    ( 1 2 ) (10/1873) suosuosky 2010-11-22 2012-01-06 08:49:52 by suosuosky
[Gaussian] 挖个homo-lumo的老坑 (2/610) ryxiao 2012-01-06 2012-01-06 04:28:31 by ryxiao
[其他] 这才是猛人啊:理论化学改行人工智能    ( 1 2 3 ) (21/3967) coolrainbow 2012-01-03 2012-01-05 14:28:14 by lette2001
[Gaussian] 【求助】谁能帮忙介绍几种画molecular orbitals的软件及其使用方法? (10/1095) zky322003 2010-11-28 2012-01-05 14:12:30 by israelxi
[Gaussian] 【求助】帮忙算一个有机小分子的长度和宽度 (3/736) cwanwan 2011-04-13 2012-01-05 10:33:54 by emmaxue
[其他] 看看小卒我能不能化腐朽为神奇,Fighting!!!!!!    ( 1 2 ) (评阅+2) (58/2851) yjcmwgk 2012-01-03 2012-01-04 22:35:51 by tiechong
[Gaussian] 2012了,送一个华丽的震荡    ( 1 2 ) (19/1593) coolrainbow 2012-01-01 2012-01-04 22:22:17 by tomhy
[Linux应 ] [专家] 解决了一个困扰一年多的疑难杂症 (评阅+5) (2/798) beefly 2011-07-20 2012-01-04 16:16:59 by yoghurt117
[其他] 你直接写b3lyp不就得了,非要把人名点出来 (12/900) 雨晨田木 2011-12-31 2012-01-04 09:08:26 by 雨晨田木
[量化新手 ] 【求助】老师让我投日本化学会志,大家知道这个杂志怎么样吗?我想出国,希望有篇英文 (22/3590) green1986 2011-02-25 2012-01-03 10:51:18 by green1986
[Gaussian] 【求助】哪里能搞到Gaussian09的源代码 source code?    ( 1 2 ) (12/2553) abbott 2009-09-12 2012-01-03 10:19:06 by yalefield
[其他] 刚才看到网友雨晨给大家看的一个乌龙,我也给大家看看我自己的几个乌龙吧    ( 1 2 3 ) (评阅+1) (27/2020) yjcmwgk 2011-12-31 2012-01-02 07:01:52 by 大块44
[Gaussian] 【求助】GV打开chk文件有问题 (5/905) liuxianlv 2010-07-02 2012-01-01 13:46:08 by zhangdaishan
[其他] 解析频率和数值频率哪个好点 (2/410) kerro 2012-01-01 2012-01-01 12:17:13 by beefly
[个人文集] 集群中几个常用的命令(跟用户培训时用的文档) (评阅+20) (3/1684) sureserver 2011-12-31 2012-01-01 11:41:30 by sureserver
[Gaussian] 这算东西还是linux好阿 (7/658) nyzhaoyin 2011-12-30 2012-01-01 04:51:47 by yongma2008
[量化图形 ] 如何由CIF得到单个分子的结构坐标,并导入Gaussian view (8/4716) zhficcas 2011-06-01 2011-12-31 19:58:10 by rainywrn
[Linux应 ] torque的几点疑问 (3/933) suntao1982 2011-10-21 2011-12-31 11:29:23 by sureserver
[量化图形 ] molekel4.3的使用 (1/936) 李东奇 2011-12-28 2011-12-30 22:17:15 by lsc84
[其他] 我们离造假只有一步之遥 (15/1540) 雨晨田木 2011-12-28 2011-12-30 11:16:42 by gmy1990
[其他] 小女子求大家帮我查查2个杂志是不是收录在SCI (6/1064) yatasoft 2011-10-13 2011-12-30 09:47:36 by hxb0917
[其他] 【求助】求答案 (5/1089) babylee0906 2011-01-04 2011-12-29 20:50:35 by lbing9002
[量化图形 ] HOMO轨道图 (1/710) 568268772 2011-12-29 2011-12-29 14:38:26 by zhou2009
[Gaussian] 【求助】计算分子电子结构及相关性质 (6/737) 果果徐 2010-12-13 2011-12-29 10:09:12 by chenjutao100
[Gaussian] 【求助】高斯频率计算死掉的原因 (7/1529) ter20 2010-09-28 2011-12-29 09:37:25 by ter20
[Gaussian] BSSE for MP2 calculations (6/1125) xuefangyu09 2011-04-22 2011-12-28 10:08:28 by lion0528
[NBO/AIM] 【求助】求教NBO Charge ,电子密度,能量的关系? (4/1843) sanshi9605 2010-03-25 2011-12-27 20:50:14 by fineren
[Gaussian] 同一用户下 安装g03 g09 结果还是不行 混乱了 (8/1037) nyzhaoyin 2011-12-26 2011-12-27 18:37:54 by abdoman
[其他] Cohen,Sanchez 和 Weitao Yang发了一个DFT的review,很不错    ( 1 2 ) (评阅+3) (11/2601) coolrainbow 2011-12-23 2011-12-26 17:26:41 by kexueshi
[Gaussian] TD-DFT激发态优化不收敛 (4/2064) xiaozufeng 2011-12-25 2011-12-26 12:10:48 by beefly
[其他] [关贴]组建浙大计算学生圈,免费分享168核计算资源 (1/437) cenwanglai 2011-12-22 2011-12-24 10:13:24 by 小红豆
[其他] 替师兄问一下,现在理论化学博士回国拿教职的难度 (16/2179) agent99 2011-12-22 2011-12-23 20:38:57 by zhenxiong
[Gaussian] [关贴]如何创建NaN3的高斯输入文件?? (4/885) 学员jDhte6 2011-12-19 2011-12-22 23:05:21 by zwnjust
[Gaussian] 询问:gaussview中DFT/CAM-B3LYP基组设定fitting set该如何选? (3/1895) dxyan 2011-12-19 2011-12-21 15:21:26 by lihb734
[Gaussian] 需要数理基础的一道普林化学博士口试题 (5/737) xiaojun2010 2011-11-26 2011-12-21 13:29:46 by 白鹿儿
[Gaussian] IRC得出来的能量图起点和终点一定是反应物和产物么? (5/1494) colinmacrean 2011-12-20 2011-12-21 07:27:59 by 书万里
[其他] 12月22日是金太阳头七前两天,也是John Clarke Slater同志诞辰110周年的日子 (7/1174) coolrainbow 2011-12-19 2011-12-21 01:29:44 by zjy0
[其他] chem rev最近发了一大堆理论的文章啊,而且都是很专业的 (评阅+2) (7/1296) coolrainbow 2011-12-18 2011-12-20 11:22:15 by agent99
[Gaussian] 【讨论】大家觉得M052X、M062X怎么样? (5/2226) 奔鲨 2011-03-19 2011-12-20 11:20:20 by gujing136
[量化新手 ] 氢原子的弥散函数 (4/1153) dreamyeye 2011-12-18 2011-12-20 00:43:49 by dreamyeye
[其他] 在acknowledge里很想致谢小木虫    ( 1 2 3 4 ) (评阅+5) (38/3131) yjcmwgk 2011-11-26 2011-12-17 18:43:20 by 寒雨人生
[其他] coolrainbow专家,我好嫉妒你 (8/971) 375642546 2011-12-15 2011-12-16 16:10:45 by 飘逸110
[Gaussian] 谁有各原子轨道半径数据+如何确定某元素的自旋多重度? (3/1354) littledwarf 2011-12-14 2011-12-15 20:29:58 by hongzhiabc
[Gaussian] 我真郁闷了 (7/581) dreamyeye 2011-12-13 2011-12-14 10:01:57 by 静水四叶草
[Gaussian] [关贴]gaussianview跟gaussian 0.3的用途区别是什么? (12/3432) tbfyh 2011-12-08 2011-12-13 20:53:14 by ylansedahai
[Gaussian] 做计算的人儿,,你们的时间主要花在什么上面了? (16/1203) xuetong5207 2011-12-10 2011-12-13 11:19:33 by chouchao
[Linux应 ] 如何获得含有原子信息的.xyz文件? (1/854) hailiutu116 2011-12-10 2011-12-11 10:08:13 by baozi_zZ
[Gaussian] 高斯求助 (4/392) liuqiang2270 2011-11-30 2011-12-09 12:52:17 by liaosdu
[Gaussian] 【求助】帮忙算一个有机小分子的长度和宽度 (13/1903) bingling1012 2011-01-18 2011-12-08 10:45:29 by pumf
[量化新手 ] choose关键词 (0/230) 568268771 2011-12-07 2011-12-07 11:59:07 by 568268771
[个人文集] 感慨 (3/524) 鱼妃 2011-12-07 2011-12-07 10:52:55 by xw2008
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