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[热点] 博士延得我，科研能力直往上蹿 偏振片 2026-02-06 刚刚
[Gaussian] [已完结]有关GaussView的视图 (1/450) shuangliwang 2014-04-03 2014-04-03 21:15:44 by shuangliwang
[Gaussian] [已完结]求助：有关电子材料的最大吸收波长计算值与实验值相差很大 ，怎么办 (5/955) gouna 2014-04-01 2014-04-03 21:07:13 by beefly
[Gaussian] [已完结]求助有关酰胺键断裂的文章 (0/382) 小罗008 2014-04-03 2014-04-03 20:41:19 by 小罗008
[Gaussian] [已完结]GaussView 作图时出现了一部分缺损 (6/609) shuangliwang 2014-04-02 2014-04-03 20:09:52 by shuangliwang
[Gaussian] [已完结]关于new cube (1/576) 阿秋 2014-04-03 2014-04-03 17:49:41 by sobereva
[Gaussian] [已完结]电荷数和自旋多重度 (5/2331) 小罗008 2014-04-02 2014-04-03 17:44:31 by wangsihang
[Gaussian] [已完结]QST2过渡态优化，向高手求助 (2/664) mettlyz 2014-03-31 2014-04-03 09:47:02 by mettlyz
[Gaussian] [已完结]GS运行一周后出现的问题求解释... (4/924) 赵奇一 2014-04-02 2014-04-03 06:43:53 by 枪下游魂
[Gaussian] 提取Gaussian的rwf文件信息的工具rwfdump简介 (13/3414) sobereva 2011-12-15 2014-04-03 06:33:48 by 仰视幸福1127
[Gaussian] [已完结]新手求助，输入文件出错，麻烦看下    ( 1 2 ) (10/2172) 262413748 2014-04-01 2014-04-02 20:12:44 by 262413748
[Gaussian] [已完结]请教各位大侠:Gaussian优化Cu-BTC 与噻吩相互作用出错！ (2/491) 孟广昊 2014-03-30 2014-04-02 16:00:33 by 孟广昊
[Gaussian] [已完结]配位数问题 (2/588) CGF083421019 2014-04-02 2014-04-02 15:34:20 by CGF083421019
[Gaussian] [已完结]求助输入文件错误 (9/2013) zh7096457 2014-03-31 2014-04-02 12:56:58 by zh7096457
[Gaussian] [已完结][关贴]CCSD能量校正提交后不执行任务怎么回事？ (5/492) hongsemenghuan 2014-03-25 2014-04-02 10:20:11 by hongsemenghuan
[Gaussian] 欢迎大家讨论关于溶剂化自由能的问题 (2/1446) dingjunxia 2012-06-29 2014-04-02 10:12:38 by zhangji3013
[Gaussian] [已完结]单点能 (2/622) renwenjuan 2014-04-01 2014-04-02 09:29:10 by 枪下游魂
[Gaussian] [已完结]频率计算中应用程序错误 (0/225) 能源人 2014-04-01 2014-04-01 21:23:41 by 能源人
[Gaussian] [已完结]量子化学煤焦吸附NO中的C原子与N或O距离是怎么规定的 (3/729) 绝对幻想aj 2014-04-01 2014-04-01 13:30:11 by liebegll
[Gaussian] 【求助】用gaussview 读取windows版g03计算出来的chk文件时能打开却不能看MO 轨道 (4/1546) qinyuzhu5233 2010-09-17 2014-03-31 13:33:19 by 幸运兔
[Gaussian] [已完结]高斯计算反应焓变 (2/1984) spring965 2014-03-28 2014-03-31 12:17:40 by spring965
[Gaussian] 【求助】g09 IRC只跑两个点就正常结束意味什么？    ( 1 2 ) (10/5888) meijiajing 2010-04-26 2014-03-31 12:11:38 by kyuan8890
[Gaussian] [已完结]求助 (0/195) wangyong1986 2014-03-31 2014-03-31 10:11:20 by wangyong1986
[Gaussian] [已完结]赝势基组的选择 (2/796) renwenjuan 2014-03-26 2014-03-31 09:11:47 by haoguoyu
[Gaussian] 高斯在环境催化（光电催化）中的应用 (6/977) whqs8426212 2014-03-30 2014-03-31 07:28:45 by Tinybecome
[Gaussian] [已完结]用CBS-QB3计算给定构型能量 (2/698) 李倩1986 2014-03-30 2014-03-30 20:32:56 by 李倩1986
[Gaussian] [已完结]结构优化及频率计算问题 (4/1859) kellym 2014-03-28 2014-03-30 18:52:50 by kellym
[Gaussian] [已完结]有关高斯提示数量单位的问题 (1/433) C_X_L 2014-03-29 2014-03-30 11:42:19 by 赵奇一
[Gaussian] [已完结]水分子与石英表面各种化学基团（SiOH、SiO-、SiOH2+）间的氢键键长、键能怎么算呢? (2/1751) bingmeng1987 2014-03-28 2014-03-29 12:29:20 by bingmeng1987
[Gaussian] [已完结]结构优化问题 (2/295) dazhuanzhuan 2014-03-28 2014-03-29 10:26:38 by dazhuanzhuan
[Gaussian] [已完结][关贴]请问加freq算溶剂化很慢吗？ (4/639) 游子8921 2014-03-28 2014-03-29 08:56:49 by 游子8921
[Gaussian] 【求助】荧光峰对应跃迁方式的计算。    ( 1 2 ) (16/1767) loovfnd 2010-08-05 2014-03-28 18:37:30 by 847356376
[Gaussian] [已完结]光谱怎么输出？ (9/1602) 春华秋实2020 2014-03-15 2014-03-28 12:26:54 by 春华秋实2020
[Gaussian] [已完结]量化计算结果分析 (6/1040) ddwy 2014-03-27 2014-03-28 09:05:04 by ddwy
[Gaussian] [已完结]计算红外振动频率小于试验值。怎么解释？ (2/429) chemstar 2014-03-27 2014-03-28 08:36:40 by chemstar
[Gaussian] 关于溶剂效应计算 SCF能量 (0/455) xingweizhen 2014-03-27 2014-03-27 21:15:42 by xingweizhen
[Gaussian] [已完结]Mn(V)=O,Mn(IV)-O●自由基体系的计算 (1/1184) haoguoyu 2014-03-27 2014-03-27 20:41:09 by gmy1990
[Gaussian] [已完结]求助 (0/155) bobo335019 2014-03-27 2014-03-27 15:32:44 by bobo335019
[Gaussian] 【求助】HOMO和LUMO的轨道组成百分数 (9/2605) 15200505003 2010-05-25 2014-03-27 14:02:42 by lyfchem
[Gaussian] 【讨论】高斯中的能量分解    ( 1 2 ) (13/3414) yangjm204 2010-01-27 2014-03-27 13:50:00 by bobo335019
[Gaussian] [已完结]高斯09中计算溶剂化效应输入文件怎么写 (2/1390) renwenjuan 2014-03-27 2014-03-27 13:17:39 by nima0332
[Gaussian] [已完结]高斯计算库仑作用 (0/316) oyezzy 2014-03-27 2014-03-27 10:40:42 by oyezzy
[Gaussian] 【求助】如何在以下高斯03输出文件中得到二阶超极化率    ( 1 2 ) (15/2974) 0011608 2010-04-12 2014-03-27 08:54:14 by shangwu
[Gaussian] [已完结]Guassian 安装时点set up没反应 (0/321) 绝对幻想aj 2014-03-26 2014-03-26 22:22:30 by 绝对幻想aj
[Gaussian] [已完结]画了个分子，需要做scan，但需要的变量不在自动保存的内坐标里，怎么调整一下？？ (7/833) xiemeng101 2014-03-26 2014-03-26 18:44:19 by xiemeng101
[Gaussian] [已完结]M06/SDD方法 (4/2285) renwenjuan 2014-03-26 2014-03-26 17:27:01 by youyno
[Gaussian] [已完结]结构优化得到的配合物结构怎么确定是否真的存在？ (1/478) nanlaifeng 2014-03-26 2014-03-26 16:21:51 by youyno
[Gaussian] [已完结]求助关于酞菁铁的计算问题 (0/1445) zh7096457 2014-03-26 2014-03-26 13:50:43 by zh7096457
[Gaussian] [已完结]请问这个化合物的反应途径那个容易发生反应 (1/276) 小罗008 2014-03-25 2014-03-26 09:41:25 by 在水一方110
[Gaussian] [已完结][关贴]怎么计算一个分子的最低单线态和三线态激发能（Es1和Es2）？ (6/1874) anjb99 2014-03-21 2014-03-25 16:59:34 by oyezzy
[Gaussian] [已完结]Turbomole怎么生成natural orbitals 的可视化文件 (5/1278) ysbglucky 2014-03-25 2014-03-25 16:11:54 by gmy1990
[Gaussian] [已完结]结构解析求高人指点一下... (1/372) 赵奇一 2014-03-25 2014-03-25 15:17:19 by youyno
[Gaussian] [已完结]关于金属离子的问题 (4/799) 半截烟洋洋 2014-03-24 2014-03-25 13:15:38 by ZJboy
[Gaussian] [已完结]gaussian 中quintet 态的计算 (1/394) oyezzy 2014-03-24 2014-03-25 07:01:40 by 枪下游魂
[Gaussian] 其实，国内很多理论化学组富得流油（和国产量化软件）    ( 1 2 ) (14/3714) coolrainbow 2011-07-22 2014-03-25 02:02:07 by beefly
[Gaussian] 为什么HF和DFT优化出来的结构完全不一样？ (2/1404) nanlaifeng 2014-03-24 2014-03-24 22:37:56 by beefly
[Gaussian] [已完结]请问如何调整gview作图后分子轨道相位的颜色 (0/834) wangxiaoye99 2014-03-24 2014-03-24 21:24:28 by wangxiaoye99
[Gaussian] [已完结]高斯优化The combination of multiplicity 1 and 169 electrons is impossible. (3/4619) szhshuan 2014-03-20 2014-03-24 21:06:24 by szhshuan
[Gaussian] [已完结]如何用GV来画石墨烯分子 (6/3146) 赵文华110 2014-03-17 2014-03-24 19:38:10 by youyno
[Gaussian] [已完结]求一个态求和（SOS）计算非线性光学系数的程序 (4/1105) lijing00011 2011-10-15 2014-03-24 19:09:23 by yixiaopiao
[Gaussian] [已完结]密度泛函理论中都有哪些计算方法 (4/2991) renwenjuan 2014-03-24 2014-03-24 16:15:30 by 蓝白余
[Gaussian] [已完结]用Gaussianview在Ultraedite中为什么会出现问号呢？求解 (0/725) 小小站_ 2014-03-24 2014-03-24 15:44:49 by 小小站_
[Gaussian] [已完结]基组输入问题 (0/299) dazhuanzhuan 2014-03-24 2014-03-24 15:03:56 by dazhuanzhuan
[Gaussian] [已完结]请问HOMO density是怎么算出来的？ (1/588) chw217 2014-03-24 2014-03-24 13:15:21 by sobereva
[Gaussian] 【讨论】请问大家如何在扫描坐标时，同时自动保存每一步的分子轨道信息呢？ (1/411) gaussian08 2011-03-28 2014-03-24 12:22:38 by aioroslove
[Gaussian] [已完结]gaussian找到过渡态输出文件的能量与IRC路径中过渡态总能量不一样怎么回事？ (0/465) hongsemenghuan 2014-03-24 2014-03-24 10:38:16 by hongsemenghuan
[Gaussian] [已完结]反磁性耦合单重态如果计算？ (0/234) huilovezhe 2014-03-22 2014-03-24 05:23:33 by huilovezhe
[Gaussian] [已完结]高斯分子优化及频率计算 (4/1792) 大家一起来 2014-03-21 2014-03-23 15:28:57 by 404283110
[Gaussian] [已完结]gaussian view 打开fchk文件出现问题 (7/3485) 胡伟 2011-05-10 2014-03-22 18:27:54 by duanruihong
[Gaussian] [已完结]计算过渡态时相互作用能的问题 (4/1168) crazyob 2014-03-17 2014-03-21 22:32:38 by crazyob
[Gaussian] [已完结]运算出错，明白的指点！ (0/226) lue7 2014-03-21 2014-03-21 20:29:48 by lue7
[Gaussian] [已完结]BOMD计算时npath和ntraj的区别？ (0/445) lixiaona158 2014-03-21 2014-03-21 16:33:49 by lixiaona158
[Gaussian] 请问Def2-TZVP和高斯内置的TZVP有什么不同（对于碳原子） (7/3223) 绍敏郡主 2014-01-21 2014-03-21 14:48:56 by xieshen0321
[Gaussian] [已完结][关贴]有没有Linux GV4.1.2以上的版本？ (2/399) schalke 2014-03-21 2014-03-21 14:30:28 by Easony
[Gaussian] [已完结]频率计算还是能量计算？ (5/1684) 能源人 2014-03-20 2014-03-21 11:10:22 by 枪下游魂
[Gaussian] [已完结]关于display charge distribution问题，选择NBO后，计算的数值单位是什么？ (0/764) 强子5112 2014-03-21 2014-03-21 09:44:25 by 强子5112
[Gaussian] [已完结]Convergence criterion not met（2070#错误） (0/1698) 404283110 2014-03-21 2014-03-21 09:22:21 by 404283110
[Gaussian] [已完结]质子转移计算求助 (6/1298) 928770788 2014-03-20 2014-03-21 07:56:24 by 928770788
[Gaussian] 【求助】使用gaussian03 计算溶剂效应是否可以指定温度？？ (4/828) xingweizhen 2014-03-19 2014-03-21 01:31:24 by xingweizhen
[Gaussian] [已完结]gaussian计算电荷分布及前线轨道能量 (1/1520) chw217 2014-03-20 2014-03-20 23:27:44 by 天池龙马
[Gaussian] 怎么用高斯求分子极化率？ (1/928) 416726641 2014-03-19 2014-03-20 13:18:34 by cg陈
[Gaussian] [已完结]高斯溶剂化能求助 (3/1733) 老猫晒太阳 2014-03-20 2014-03-20 12:25:53 by 枪下游魂
[Gaussian] [已完结]如何在Windows版本的Gaussian中使用LANL2DZ ECP基组 (9/2429) cug_zhang 2013-02-20 2014-03-20 12:03:54 by ljc050512
[Gaussian] [已完结]TD—DFT应用过程中产生的疑问，急求解答... (5/1268) 赵奇一 2014-03-14 2014-03-20 11:26:40 by yaochuang
[Gaussian] [已完结]基态的HOMO-LUMO能隙与吸收光谱规律不一致！有这种情况吗？    ( 1 2 ) (12/3769) qinyuzhu5233 2011-07-01 2014-03-20 11:17:41 by ljc050512
[Gaussian] [已完结]B3LYP和B3PW91的区别 (4/3013) qinchen5555 2014-03-19 2014-03-20 09:29:21 by viobug
[Gaussian] [已完结]IRC计算结束后如何接着计算 (3/1601) 小罗008 2014-03-19 2014-03-20 09:24:47 by 荒野求生
[Gaussian] [已完结]请问用优化好的结构算拉曼光谱用LOG文件里哪个坐标啊 (4/845) cczjkd 2014-03-18 2014-03-20 07:05:41 by 枪下游魂
[Gaussian] [已完结]高斯计算出现负频怎么改啊    ( 1 2 ) (17/2439) cczjkd 2014-03-05 2014-03-20 07:00:24 by 枪下游魂
[Gaussian] [已完结]关于用高斯计算得到的HOMO和LUMO与实验中循环伏安的计算结果不一样的问题 (2/1229) yaochuang 2014-03-19 2014-03-20 00:22:58 by 绍敏郡主
[Gaussian] [已完结]Linux系统下Gaussian安装后，运行提示unable to open input file，求助！ (1/2205) lue7 2014-03-17 2014-03-19 22:45:05 by Hewei
[Gaussian] 讨论一下Windows系统下Gaussian运算的性能问题 (7/2432) lue7 2014-03-12 2014-03-19 22:41:27 by Hewei
[Gaussian] [已完结]麻烦帮忙看看G03安装后运行结果 (2/759) lue7 2014-03-19 2014-03-19 22:04:57 by Hewei
[Gaussian] [已完结]HF能量相当于吉布斯自由能还是焓 (8/2790) 172304 2013-07-14 2014-03-19 16:55:35 by liuxinhitny
[Gaussian] [已完结]IRC结果求助 (5/694) hp713747 2014-03-19 2014-03-19 10:57:46 by 枪下游魂
[Gaussian] [已完结]有同志们用过Gaussian计算过次生土壤矿物么？    ( 1 2 ) (11/941) nima0332 2014-02-16 2014-03-18 23:11:18 by 卡开发发
[Gaussian] [已完结]RCCSD（T）-cf文献中计算方法表达 (2/373) 雨· 2014-03-17 2014-03-18 10:54:02 by 雨·
[Gaussian] [已完结]有关ONIOM出现 (3/1703) rainyxiao 2014-01-21 2014-03-18 10:42:08 by hxqiuling
[Gaussian] [已完结]一个简单的 ONIOM 输入文件 (3/1932) hxqiuling 2014-03-17 2014-03-18 10:07:07 by hxqiuling
[Gaussian] [已完结]正辛醛肟的计算 (5/943) 十五的月牙 2014-03-16 2014-03-18 09:12:43 by 黄金比例
[Gaussian] 精华I:  【资源】量子化学PPT，很全！！    ( 1 2 3 ) (110/12233) heyo_123 2010-07-06 2014-03-18 08:19:25 by csgcmj
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