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[热点] 越来越担心硕士毕业后没有竞争力了 zuesli 2026-10-28 刚刚
[Gaussian] [已完结]gaussian 计算得到的荧光光谱选择其最大发射光谱是看f最大对应的吗?    ( 1 2 ) (14/5106) xcyqyz5233 2011-07-26 2013-04-23 17:44:48 by hkai80
[Semi-em ] [已完结]求ZENER编的ZINDO软件 (2/876) truelove 2013-04-08 2013-04-23 16:18:41 by truelove
[Gaussian] [已完结]GaussView.v5.08 打开用G09算出的chk文件但不能看MO (1/1062) 小热胖胖 2013-04-22 2013-04-23 13:01:32 by lg1976727
[量化新手 ] 关于量化方法 (3/677) xokcsgy 2013-04-19 2013-04-23 10:43:01 by xokcsgy
[Gaussian] [已完结]TD计算吸收荧光 (2/599) DHY19860208 2013-04-21 2013-04-23 10:15:31 by DHY19860208
[量化新手 ] [已完结]高斯频率计算结果怎么看 (2/450) qiaodan1029 2013-04-22 2013-04-23 10:11:26 by qiaodan1029
[Gaussian] 在高校,博士毕业四年了,有必要做在职博后么? (15/3931) lorna639 2011-05-27 2013-04-23 06:17:51 by muliang
[Linux应 ] [已完结]求助GAUSSIAN软件包里面关于CI的公式 (6/824) 王小抠儿 2013-04-20 2013-04-22 16:34:15 by coolrainbow
[其他] [已完结]求tinker高手啊!!!固定优化问题!!!!! (0/308) xzz1007 2013-04-22 2013-04-22 16:08:06 by xzz1007
[Gaussian] 【求助】求助TDDFT问题    ( 1 2 ) (评阅+2) (12/3259) kaka0425 2010-05-13 2013-04-22 13:34:16 by anmin0127
[Gaussian] [已完结]高斯计算的理论值和实验值差很多 怎么解决? (4/1799) zyhappy 2013-04-14 2013-04-22 11:47:39 by zyhappy
[量化图形 ] [已完结]频率分析的单位 (0/410) xxjiang 2013-04-22 2013-04-22 09:32:27 by xxjiang
[NBO/AIM] [已完结]NBO计算输出结果中的各个结构片段是怎样确定的?    ( 1 2 3 ) (20/4235) vigaryang 2011-08-07 2013-04-22 07:02:26 by 312080310
[Gaussian] [已完结]irc问题 (4/710) 119243775 2013-04-20 2013-04-21 21:22:30 by stalart
[Gaussian] [已完结]Def2系列的基组 (1/2161) yuyin2008 2013-04-21 2013-04-21 21:04:33 by yuyin2008
[Gaussian] [已完结]金属配合物的Jahn-Teller 问题 (0/312) tanghao86 2013-04-21 2013-04-21 20:27:04 by tanghao86
[Gaussian] [已完结]关于原子的杂化类型    ( 1 2 ) (11/2756) suosuosky 2011-05-31 2013-04-21 18:10:25 by quantumor
[Gaussian] 【求助】单点能计算 (7/2074) tuzi198711 2010-12-25 2013-04-21 18:07:23 by quantumor
[Gaussian] [已完结]NBO计算输出文件相关解释,帮帮忙。。。 (0/496) 312080310 2013-04-21 2013-04-21 14:16:20 by 312080310
[ADF/Dal ] [已完结]ADF输入文件中,可以直接人为指定对称性吗? (2/661) 素年锦时111 2013-04-20 2013-04-21 14:10:06 by 素年锦时111
[Gaussian] [已完结][关贴]求gaussview5.0.9 (3/1876) 312080310 2013-04-18 2013-04-21 13:25:31 by wangkj
[Linux应 ] [已完结]Linux下优化几何结构,断电后,继续优化问题 (2/580) hanlh 2013-04-19 2013-04-21 11:42:10 by stalart
[Gaussian] [已完结]g09中pcm溶剂效应怎么处理混合溶剂 (2/654) aiolia867 2013-04-19 2013-04-21 11:16:17 by stalart
[Gaussian] [已完结]分子静电势问题,大神进来帮忙看看 (7/2177) xyz7819227 2013-01-23 2013-04-21 11:14:29 by ZJboy
[Gaussian] [已完结]关于氨水溶液问题 (1/463) zytcjx 2013-04-20 2013-04-21 09:35:46 by stalart
[量化新手 ] [已完结]求SIESTA中使用的Ti元素的PAO.Basis和赝势 (0/354) wybdut 2013-04-21 2013-04-21 09:10:44 by wybdut
[量化新手 ] [已完结]两个产物的能量之和比过渡态要高如何解释吗? (8/3412) jianqin 2013-04-19 2013-04-21 08:04:42 by yongleli
[Gaussian] 关于chk文件 (8/1371) 111222000 2013-04-17 2013-04-20 20:48:24 by 111222000
[Gaussian] [已完结]电荷和自旋多重度 (5/2974) wangz00 2013-04-20 2013-04-20 16:34:01 by zhaogaiyun
[Gaussian] [已完结]About: Gaussian计算outersphere的电子转移问题 (3/977) jiangdafa 2013-04-19 2013-04-20 13:09:59 by yongleli
[Gaussian] [已完结]ECD问题 (1/673) wzq70402 2013-04-18 2013-04-20 11:26:42 by wzq70402
[Multiwfn] [已完结]关于静电势的一些设想,大家集思广益 (6/1944) liaibo 2013-04-15 2013-04-20 08:19:29 by yongleli
[Gaussian] [已完结]循环 (2/415) 求知燕子 2013-04-10 2013-04-20 07:44:04 by 求知燕子
[Gaussian] [已完结]高斯输出文件 (7/2378) LynSong 2013-04-08 2013-04-19 21:05:51 by zhouwohua
[Gaussian] [已完结]gaussian halt optimization without error message in out file    ( 1 2 ) (11/2371) szhshuan 2013-04-16 2013-04-19 20:34:39 by zhouwohua
[Molpro/ ] [已完结]量化方法 (0/460) xokcsgy 2013-04-19 2013-04-19 20:00:12 by xokcsgy
[Gaussian] [已完结]优化不收敛 (2/699) 798879443 2013-04-02 2013-04-19 19:37:20 by zhouwohua
[其他] 【求助】求助有关量子化学方面的中文电子书下载 (2/473) yuanyuan628 2011-03-20 2013-04-19 17:32:06 by dawn606
[Molpro/ ] [已完结]molpro可以输出Mayer键级吗 (2/634) 素年锦时111 2013-04-19 2013-04-19 14:32:30 by 素年锦时111
[其他] 这个不等式挺好玩 (1/349) cavediger 2013-04-19 2013-04-19 12:25:38 by yalefield
[Gaussian] [已完结]gaussian09过渡态优化出现l103错误,求解决 (6/3755) ludeng8710 2012-07-15 2013-04-19 12:16:18 by marson
[Gaussian] [已完结]文档求助 (0/312) 小窗夜梦 2013-04-19 2013-04-19 11:18:53 by 小窗夜梦
[其他] [专家] JPC被我乡镇企业攻克了? (4/837) beefly 2013-04-19 2013-04-19 10:52:46 by lishijunzong
[Gaussian] [已完结]高斯计算入门求助 (6/1372) 小窗夜梦 2013-04-18 2013-04-19 10:49:59 by 小窗夜梦
[Gaussian] 一个过渡态的IRC的两种错误问题 (3/1104) shuangliu 2013-04-18 2013-04-19 07:38:23 by CKX
[文章故事] [已完结]theoretical chemistry accounts 怎么样 (2/782) ryxiao 2013-04-19 2013-04-19 01:31:03 by ryxiao
[Gaussian] [已完结]关于高斯09计算电子转移反应的重组能,如何操作~ (0/719) marson 2013-04-18 2013-04-18 21:33:00 by marson
[Turbomo ] [已完结]ORCA跨节点并行问题 (2/1105) lsc84 2013-04-17 2013-04-18 20:06:28 by lsc84
[Gaussian] [已完结][关贴]求一计算不同温度压力下热力学性质的自编译程序 (5/848) 111222000 2013-04-17 2013-04-18 17:02:24 by 111222000
[Gaussian] [已完结]加速单点能计算 (4/1445) wangsihang 2013-04-18 2013-04-18 15:43:50 by wangsihang
[其他] How to select the LUMO* orbital of dye/TiO2 complexes (13/1755) yingtu 2013-04-18 2013-04-18 15:39:17 by ggdh
[NBO/AIM] [已完结]过渡金属配位 (2/1114) lmingshu 2013-04-17 2013-04-18 15:07:56 by xyz7819227
[Gaussian] [已完结]想在Gaussian程序包里面找公式应该怎么做? (2/388) 王小抠儿 2013-04-15 2013-04-18 10:16:05 by 王小抠儿
[其他] [已完结]cif转化成pdf格式 (4/1556) slowly 2013-04-17 2013-04-18 09:50:31 by yalefield
[Gaussian] 【求助】基组的理解 (7/2809) caozf 2010-07-16 2013-04-18 08:26:56 by kxwy
[Gaussian] core–valence correlation时用什么基组 (1/349) kent1022 2013-04-17 2013-04-18 08:16:23 by lujun2910
[其他] Symphony of Science - the Quantum World (1/660) cavediger 2013-04-17 2013-04-18 05:46:55 by Quan.
[Gaussian] [已完结][关贴]帮忙算能量(Gaussian)    ( 1 2 ) (14/1185) mfyoung 2013-04-15 2013-04-17 22:32:36 by xifan520
[Molpro/ ] [已完结]自旋轨道耦合作用 (3/1312) xokcsgy 2013-04-17 2013-04-17 22:06:52 by 94368373
[Gaussian] [已完结]反应物,过渡态,和生成物能量 (5/2247) 119243775 2013-04-17 2013-04-17 21:51:21 by marson
[Gaussian] [已完结]TDDFT激发态 (2/438) luojin7653 2013-04-15 2013-04-17 15:14:17 by flyonsea
[Gaussian] g09计算三态发射出现负数怎么办 (4/1028) aiolia867 2013-04-15 2013-04-17 12:18:21 by aiolia867
[Gaussian] 关于标准摩尔熵的计算 (0/4180) jingetiema61 2013-04-17 2013-04-17 10:26:29 by jingetiema61
[其他] [已完结]二配位结构 (4/518) 丁秋月 2013-04-15 2013-04-17 08:40:06 by 丁秋月
[Gaussian] [已完结]收敛问题,这个可以有? (3/897) 119243775 2013-04-16 2013-04-17 08:14:18 by jiameiye
[Gaussian] [已完结]金属原子 自旋多重度设定 (6/2337) G03W 2012-08-17 2013-04-17 07:42:52 by ACSI
[NBO/AIM] [已完结]AIM分析求助! (1/502) zm_tbw 2013-04-15 2013-04-16 21:00:37 by sobereva
[Gaussian] [已完结]AlnPt (n=1-15) 团簇如何用高斯计算它的反应的活化能? (8/1356) zxpersist 2013-04-14 2013-04-16 20:59:09 by dicpwbx
[Gaussian] [已完结]频率校正因子 (2/1357) huilovezhe 2013-04-11 2013-04-16 19:58:25 by marson
[Gaussian] [已完结]gaussian算高对称性分子的非谐性频率出错 (0/285) xixi1007 2013-04-16 2013-04-16 17:02:56 by xixi1007
[Gaussian] [已完结]如何用高斯软件计算分子间作用力? (6/4187) Red_Andy 2013-03-10 2013-04-16 11:00:24 by yongleli
[HyperCh ] [已完结][关贴]nwchem可以在win7 32位的操作系统下编译吗? (0/468) yaochuang 2013-04-16 2013-04-16 09:17:51 by yaochuang
[文章故事] [已完结]文章中的结构命名 (0/459) 丁秋月 2013-04-16 2013-04-16 09:12:16 by 丁秋月
[Gaussian] 【讨论】关于Gaussian ]计算反应能垒 (13/4807) majun04 2011-01-17 2013-04-16 06:16:32 by 余东海
[其他] 点群问题,请问Cnh点群中,h的英文全称是什么? (2/1954) yinbaoliu 2013-04-15 2013-04-15 23:01:48 by ggdh
[量化图形 ] [已完结]什么软件能画出原子上带矢量(箭头)的结构图? (3/1487) ikea1984 2013-04-13 2013-04-15 20:15:11 by njn0516
[Gaussian] 【讨论】关于高斯计算不同条件下的热力学函数 (8/3633) 20928140 2011-04-06 2013-04-15 19:52:16 by 836449366
[Gaussian] [已完结]L1112错误 (3/663) tianwenk 2013-04-15 2013-04-15 16:28:38 by tianwenk
[Gaussian] [已完结]求助如何确定团簇分子的几何构型 (4/889) skywyy2011 2013-04-13 2013-04-15 16:01:55 by skywyy2011
[Gaussian] [已完结]高斯计算中的溶剂效应问题 (2/1450) 笨笨熊2号 2013-04-10 2013-04-15 15:06:17 by 笨笨熊2号
[Gaussian] 中微子超光速?爱因斯坦还是赢了:电脑上有根线没插好    ( 1 2 3 4 ) (30/4211) coolrainbow 2012-02-23 2013-04-15 14:02:52 by 青龙返首
[个人文集] [已完结]什么是磨拉石盆地呢? (5/1245) 学员23fyuf 2013-04-10 2013-04-15 13:36:36 by heiland
[Gaussian] [专家] [已完结]求问一个内存加载不一致的问题 (1/595) jiewei 2013-04-15 2013-04-15 12:39:35 by jiewei
[量化图形 ] [已完结]gaussview观察scan三维图的问题 (2/1495) 312080310 2013-04-15 2013-04-15 11:26:28 by 312080310
[Gaussian] [已完结]为什么此作业提交不了?segmentation violation错误    ( 1 2 ) (10/3103) luyang_982 2013-03-27 2013-04-15 10:24:38 by 迟小二儿
[Gaussian] [已完结]怎么用高斯计算配合物的荧光性质 (4/1348) 769148574 2013-04-11 2013-04-15 09:44:21 by 769148574
[其他] 过渡态比能量最低点(非基态)能量还低 (5/1478) tiechong 2013-04-14 2013-04-15 07:56:45 by haixiawu
[Gaussian] 【转载】Gaussian入门技巧四(关于对称性) (评阅+2) (7/5169) honey宝贝 2011-04-02 2013-04-15 06:32:33 by jiangdafa
[ChemOff ] [已完结]MOPAC 运行后错误 (1/917) leonlu 2013-04-14 2013-04-14 22:29:39 by mangonel
[Gaussian] [已完结]写文章时不同结构的同分异构体如何命名 (3/1054) 丁秋月 2013-04-12 2013-04-14 21:57:10 by 丁秋月
[Gaussian] [已完结]环己烷不同构象之间活化能转化 (2/1305) cookjin 2013-04-14 2013-04-14 21:35:23 by cookjin
[Gaussian] [已完结]G03 CIS激发态优化 (9/1395) sjc947440689 2013-04-07 2013-04-14 21:01:22 by zyhappy
[Gaussian] [已完结]求助有关高斯计算激发态能量准确度问题 (6/2409) abraham89 2013-04-02 2013-04-14 20:24:29 by zyhappy
[量化新手 ] 求建议一些资料 (4/706) 请国米与 2013-04-08 2013-04-14 17:43:51 by 请国米与
[Gaussian] [已完结]铝铂双金属团簇的生长机理如何用动力学解释 (2/665) zxpersist 2013-04-12 2013-04-14 14:39:29 by zxpersist
[Gaussian] [已完结]Gaussian03算DFT-D (1/401) wangsihang 2013-04-13 2013-04-14 12:43:00 by yongleli
[NBO/AIM] [已完结]两种方法的nbo不一样 (0/681) gaomeng12 2013-04-09 2013-04-14 09:58:15 by gaomeng12
[NBO/AIM] [已完结]在进行AIM计算后的环鞍点存在问题 (0/434) 梦之蓝liu 2013-04-10 2013-04-14 09:56:51 by 梦之蓝liu
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