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[热点] 依托企业入选了国家启明计划青年人才。有无高校可以引进的。 我是勇敢牛牛 2026-02-10 刚刚
[Gaussian] 【求助】gaussian03 在pc 机上怎样安装？ (7/909) haiqin28 2010-11-04 2010-11-05 11:51:13 by hzfish
[Gaussian] 【求助】gaussian频率分析    ( 1 2 ) (10/1324) superpavel 2010-11-04 2010-11-05 10:51:21 by superpavel
[Gaussian] 【求助】请教大家一个问题~Ni+...C2H2的复合物 (5/740) qzhaosdu 2010-11-03 2010-11-04 22:32:00 by ykwang
[Gaussian] 【求助】审稿意见求助 (9/1327) sunxiuxin 2010-11-04 2010-11-04 21:42:50 by sunxiuxin
[Gaussian] 【求助】1 2 1.0 (0/206) a-b-c 2010-11-04 2010-11-04 19:17:15 by a-b-c
[Gaussian] 【求助】部分优化必须加nosymm吗 (0/561) kathy2008 2010-11-04 2010-11-04 17:13:53 by kathy2008
[Gaussian] [关贴]【求助】分子轨道成分分析 (9/2019) wcz2008 2010-11-02 2010-11-04 16:40:03 by yongleli
[Gaussian] 【求助】International Journal of Quantum Chemistry 传真号是多少？ (2/354) LuPeng5366 2010-11-03 2010-11-03 18:43:39 by lihb734
[Gaussian] 【求助】aug-cc-pvdz-pp 计算Pb时总报错： Atomic number out of range in ccpVDZ    ( 1 2 ) (10/2548) xuelinglei 2010-11-03 2010-11-03 17:14:40 by xuelinglei
[Gaussian] 【求助】gaussian 计算结果 link died，求助解决办法    ( 1 2 ) (12/2630) xhongxue 2010-11-02 2010-11-03 16:21:35 by manson1998
[Gaussian] delete (VIP≥100)(6/98) xiaopengs 2010-11-02 2010-11-03 14:51:16 by yongleli
[Gaussian] 【求助】gaussian03与win7的兼容性？ (金币≥10)(4/85) 寒雨人生 2010-11-02 2010-11-03 14:04:57 by hzfish
[Gaussian] 【求助】如何使用NBO将核独立化学位移（NICS）分解 (0/899) wanguangli 2010-11-03 2010-11-03 11:40:22 by wanguangli
[Gaussian] 【求助】Gaussians09算优化时的问题 (2/446) 小鱼-xf 2010-11-03 2010-11-03 10:54:45 by erylingjet
[Gaussian] 【求助】红外强度 (0/234) zml2009 2010-11-03 2010-11-03 10:17:23 by zml2009
[Gaussian] 【求助】gaussian计算频率 (2/343) lyy880530 2010-11-03 2010-11-03 09:14:15 by lyy880530
[Gaussian] [关贴]【求助】两个分子通过Cu2+配位的结合能问题 (7/1508) iacwj03 2010-11-01 2010-11-03 09:11:23 by lxying
[Gaussian] 【求助】高斯中坐标固定和冻结核是一回事吗？ (5/1838) sunzhiguo 2010-11-02 2010-11-02 18:33:43 by sunzhiguo
[Gaussian] 【求助】这个结构的多重度为什么是1？    ( 1 2 ) (11/1189) nkxiaowu 2010-11-02 2010-11-02 17:14:00 by hexinchem
[Gaussian] 【求助】富勒烯化合物在GV中Z-matrix如何保存呢！请大侠点拨 (2/666) zky322003 2010-11-01 2010-11-02 13:16:16 by zky322003
[Gaussian] 【求助】高斯混合基组计算 link died, 求助解决方法！ (1/1416) kekemi_1127 2010-11-02 2010-11-02 11:14:11 by erylingjet
[Gaussian] 【求助】DFT计算中合金的模型怎么建立 (9/1939) sunzhiguo 2010-10-28 2010-11-02 09:45:43 by sunzhiguo
[Gaussian] 【求助】broken symmetry state (4/966) 365tian 2010-11-01 2010-11-02 09:12:12 by hzfish
[Gaussian] 【求助】aug-cc-pvdz-pp 基組与赝势的输入路径 (2/1113) xuelinglei 2010-11-01 2010-11-01 19:05:17 by qzhaosdu
[Gaussian] 【求助】关于PES 势能面自旋交叉点（cp）的图表的识别，感谢大家的帮助 (5/1584) wcszbd2008 2010-10-31 2010-11-01 11:50:55 by fatpig8832
[Gaussian] 【求助】拉曼谱导出 (1/301) henuhaog 2010-10-31 2010-10-31 21:53:03 by snoopyzhao
[Gaussian] 【求助】关于pymolyze软件的应用 (0/401) wutongshun 2010-10-31 2010-10-31 20:30:26 by wutongshun
[Gaussian] 【求助】【求助】g03如何在单机上使用linda并行计算 (金币≥1)(9/81) 吴大为 2010-10-31 2010-10-31 20:12:17 by pwzhou
[Gaussian] 【求助】IRC计算 (0/492) tuzi198711 2010-10-31 2010-10-31 08:43:51 by tuzi198711
[Gaussian] 【求助】计算时间求助 (9/1672) gzgzgz 2010-10-26 2010-10-31 04:12:02 by recoli
[Gaussian] 【求助】关于高斯计算调取CPU和内存的问题？？？ (5/2014) ronnie5031 2010-10-30 2010-10-30 19:16:52 by ykwang
[Gaussian] 【求助】如何使用 SCRF(PCM,read,Solvent=dichloromethane)优化结构呢！ (3/1797) loovfnd 2010-10-28 2010-10-30 18:47:54 by loovfnd
[Gaussian] 【求助】IRC收敛死循环，求助专家！ (4/971) happyjwx 2010-05-26 2010-10-30 18:36:17 by hexinchem
[Gaussian] 【求助】能量矫正 (9/909) 求学者@凤子 2010-04-04 2010-10-30 10:19:48 by x7511413
[Gaussian] 【求助】使用PCM模型时半径的选择 (0/411) hxtlc 2010-10-30 2010-10-30 09:54:19 by hxtlc
[Gaussian] 【求助】审稿人意见，不是很懂，大家帮帮忙！    ( 1 2 3 ) (21/2139) heyo_123 2010-10-26 2010-10-30 08:48:01 by fooo
[Gaussian] 【求助】IRC运算，关键词stepsize，以及有关bohr单位换算 (2/1459) wcszbd2008 2010-10-29 2010-10-29 21:11:04 by ykwang
[Gaussian] 【求助】关于基组的写法 (8/1553) caozf 2010-10-28 2010-10-29 19:46:25 by caozf
[Gaussian] 【求助】基组的关键字 (1/452) caozf 2010-10-29 2010-10-29 15:31:52 by ykwang
[Gaussian] 【求助】Depolar (P) 和Depolar (U) 是什么意思？ (5/1890) suosuosky 2010-10-26 2010-10-29 08:55:59 by suosuosky
[Gaussian] 【求助】用gaussian进行admp计算 (0/1065) xiaoboy185 2010-10-28 2010-10-28 21:51:38 by xiaoboy185
[Gaussian] 【求助】请问各位大侠，怎样构建初始模型呢？ (4/743) feition2008 2010-10-24 2010-10-28 21:03:19 by songk1125
[Gaussian] 【求助】总是LINK died，请各位大侠帮忙下 (金币≥50)(0/29) isabellee 2010-10-28 2010-10-28 20:35:13 by isabellee
[Gaussian] 【求助】含有赝式基组时应该如何用geom=chenck命令    ( 1 2 ) (13/1908) yangxinyeah 2010-10-24 2010-10-28 19:39:42 by 陈艳cy
[Gaussian] 【求助】有G09W版程序包吗？请提供帮助    ( 1 2 ) (11/1190) zhaojy008 2010-09-27 2010-10-27 23:26:57 by zhengpc3505
[Gaussian] 【讨论】目前国内外研究guassian谁最牛 (8/1125) 365608709 2010-10-26 2010-10-27 22:51:37 by cxyuan09
[Gaussian] 【求助】怎样计算The Molecular Orbital Compositions (%)？ (2/373) ylwang88 2010-10-26 2010-10-27 20:02:25 by ylwang88
[Gaussian] 【求助】求助电子排布 (5/635) nanjinger 2010-10-26 2010-10-27 19:57:19 by lingznpmg
[Gaussian] 【严重郁闷，不吐不快】一篇严重违反基本原理的ACS论文。到底是我疯了还是作者疯了？    ( 1 2 3 4 ) (评阅+3) (31/4335) yjcmwgk 2010-09-29 2010-10-27 18:32:11 by wyy490119639
[Gaussian] 【求助】孤对电子互斥效应可以定量描述么? (6/874) northwater 2010-10-25 2010-10-27 00:37:01 by northwater
[Gaussian] 【求助】分子优化 (5/587) tuzi198711 2010-10-26 2010-10-26 22:12:20 by boylc789
[Gaussian] 【求助】如何固定部分分子，写出输入坐标。 (0/447) kathy2008 2010-10-26 2010-10-26 19:05:29 by kathy2008
[Gaussian] 求助：chk文件 分析 (1/338) liuxiaomai 2010-10-26 2010-10-26 17:10:23 by liuxiaomai
[Gaussian] 【求助】开壳层分子轨道分析 (1/775) bluejh 2010-10-26 2010-10-26 11:22:09 by wutongshun
[Gaussian] 【讨论】failed to open execfile g09 (2/2709) gs树 2010-10-24 2010-10-25 11:22:48 by gs树
[Gaussian] 【求助】审稿意见求助！ (2/447) LuPeng5366 2010-10-24 2010-10-25 03:30:40 by recoli
[Gaussian] 【讨论】高斯计算光谱 (3/1112) haibo66878779 2010-10-24 2010-10-25 02:02:14 by beefly
[Gaussian] 【求助】弱弱的问一下关于氢键 (2/475) feition2008 2010-10-24 2010-10-24 15:58:49 by hexinchem
[Gaussian] 【求助】计算时出现一个怪现象？请高手指点一下。 (2/518) tangbaowei 2010-10-23 2010-10-23 13:12:27 by manson1998
[Gaussian] 【求助】求JCP投稿模板-Word2003 (0/356) zhilv 2010-10-23 2010-10-23 10:22:30 by zhilv
[Gaussian] 【讨论】请大家帮忙看看买哪一个型号的机器好 (1/416) lorna639 2010-10-22 2010-10-22 19:07:25 by ykwang
[Gaussian] 【求助】linux内存设置问题(已经解决)可不可以收回金币 啊？ (4/803) 新世纪 2010-09-14 2010-10-21 20:06:25 by blueybz
[Gaussian] 【求助】求助JCP投稿问题！ (2/494) zhilv 2010-10-21 2010-10-21 18:50:37 by zhilv
[Gaussian] 【求助】求助高斯中ONIOM采用amber力场的问题 (0/868) liwenchao 2010-10-21 2010-10-21 18:39:37 by liwenchao
[Gaussian] 【求助】ClOH(Opt+Freq).gjf这个编程时什么意思 (1/700) a-b-c 2010-10-21 2010-10-21 17:45:00 by manson1998
[Gaussian] 【求助】基组加极化函数和弥撒数数有没有规则？？？ (1/819) hzfish 2010-10-21 2010-10-21 15:34:13 by quantumor
[Gaussian] 【求助】客户端和服务器网络连接问题,使用Tera term pro (6/1223) sunzhiguo 2010-10-20 2010-10-21 12:33:15 by zhangmt
[Gaussian] 【求助】请问def2-TZVP基组和那个全电子基组相当？ (4/3167) zhengpc3505 2010-10-21 2010-10-21 12:32:01 by ykwang
[Gaussian] 【讨论】如何确定价电子组态 (3/2261) bluejh 2010-10-21 2010-10-21 11:35:44 by bluejh
[Gaussian] 【求助】铅的氯反应出现中间体 中间体是什么 球详细解说！ (1/307) a-b-c 2010-10-21 2010-10-21 08:41:36 by heyo_123
[Gaussian] 【求助】关于零点能修正的问题 (7/1370) zhengpc3505 2010-10-19 2010-10-20 22:06:06 by sobereva
[Gaussian] 【讨论】Gaussian在计算时默认的温度是多少？怎样设置温度的影响呢？ (5/2952) ludeng 2010-10-20 2010-10-20 22:03:30 by ludeng
[Gaussian] 【求助】实验是在 -10℃的条件下进行的，那在用Gaussian寻找过渡态时，要不要设置温度 (0/343) ludeng 2010-10-20 2010-10-20 20:10:55 by ludeng
[Gaussian] 【求助】求助几个分子结构信息 (1/222) xiaowu787 2010-10-10 2010-10-20 19:05:48 by 裴景颢
[Gaussian] 【求助】分子轨道中原子轨道（或其下的某条轨道）的贡献 (3/1506) ZCY2009 2010-10-19 2010-10-20 17:34:47 by zhficcas
[Gaussian] 【讨论】word转化为PDF偏左 (1/1244) sunlong650 2010-10-20 2010-10-20 10:53:59 by manson1998
[Gaussian] 【求助】关于键能计算的问题 (0/1263) hugo351100 2010-10-20 2010-10-20 10:48:16 by hugo351100
[Gaussian] 【求助】请问在GEN中出现的5D 7F 是什么意思啊？ (0/791) zhengpc3505 2010-10-20 2010-10-20 10:42:27 by zhengpc3505
[Gaussian] 【原创】文献调研交流 (7/914) lyy880530 2010-10-15 2010-10-20 10:39:31 by hexinchem
[Gaussian] 【讨论】关于如何优化大体系的问题 (9/1370) chemzhh 2010-10-18 2010-10-20 09:07:02 by manson1998
[Gaussian] 【求助】铅的氯反应出现中间体 中间体是什么 以及怎么计算中间体啊？ (金币≥5)(7/50) a-b-c 2010-10-19 2010-10-20 08:58:20 by manson1998
[Gaussian] 【求助】求助Gaussian软件下载 (2/688) liu02love 2010-10-19 2010-10-19 21:14:58 by zhangguangping
[Gaussian] 【求助】了03出错 (4/694) nanjinger 2010-10-18 2010-10-19 11:04:55 by nanjinger
[Gaussian] 【讨论】过渡态计算 (4/570) weastood 2010-06-19 2010-10-19 10:54:19 by lianzhenxia
[Gaussian] 【求助】请问高斯可以改变温度进行优化和改变温度进行光谱的计算么？ (4/1504) wutongshun 2010-10-18 2010-10-19 10:17:51 by wutongshun
[Gaussian] 【求助】G09使用TDDFT优化激发态结构 输入怎么写    ( 1 2 ) (10/1405) lixiaona158 2010-07-23 2010-10-19 10:08:00 by zml2009
[Gaussian] 【求助】alpha与beta轨道 (3/632) bluejh 2010-10-18 2010-10-18 18:35:52 by yjcmwgk
[Gaussian] 【求助】高斯09算出的IRC怎么找到反应物和产物的构型数据？谢谢 (1/1092) lianzhenxia 2010-10-18 2010-10-18 14:43:51 by manson1998
[Gaussian] 【求助】怎么用Xftp把Gaussian输入文件上传到服务器 (1/798) zhangtianyun 2010-10-17 2010-10-18 08:42:35 by manson1998
[Gaussian] 【求助】两个研究对同一键的键长差多少才能叫符合 (5/514) forestwolf9291 2010-10-15 2010-10-18 00:16:53 by beefly
[Gaussian] 【讨论】Gaussian 轨道 (1/332) gaussian08 2010-10-17 2010-10-18 00:09:57 by sobereva
[Gaussian] 【求助】有关高斯View建模的问题 (0/978) 陈艳cy 2010-10-17 2010-10-17 14:58:03 by 陈艳cy
[Gaussian] 【求助】凝相 (5/819) lyy880530 2010-10-14 2010-10-17 10:56:55 by nancy-jj
[Gaussian] 【求助】求助gaussian计算出错，纠结中！ (5/1366) jxzxm98 2010-10-16 2010-10-17 09:11:41 by heyo_123
[Gaussian] 【求助】请问范德华体系的各种代表体系 (7/934) gothicfat 2010-10-15 2010-10-16 21:57:53 by gothicfat
[Gaussian] 【求助】分子振动模式的标号的意思    ( 1 2 ) (10/2062) tiancj 2010-10-15 2010-10-16 17:00:23 by zhaojy008
[Gaussian] 【整理】请问怎么在高斯虚原子上赋予电荷呢？ (5/1242) chenxiankai 2010-09-23 2010-10-16 15:07:22 by qzhaosdu
[Gaussian] 【求助】优化后频率计算    ( 1 2 3 ) (25/1558) doublejin 2010-10-12 2010-10-16 11:07:41 by 陈艳cy
[Gaussian] 【求助】请教高斯计算静电势的问题 (1/1996) ronnie5031 2010-10-16 2010-10-16 10:48:45 by qzhaosdu
[Gaussian] [关贴]【求助】重金求助 (3/818) zyr3365754 2010-10-15 2010-10-16 08:44:30 by lihb734
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