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[热点] 博士延得我，科研能力直往上蹿 偏振片 2026-02-07 刚刚
[Gaussian] [已完结]单点能 (2/490) cj陈娇 2013-03-11 2013-05-10 10:37:14 by marson
[Gaussian] [已完结]高斯求助 (4/477) 零度雨 2013-05-09 2013-05-10 10:35:29 by marson
[Gaussian] [已完结]组建cluster (4/609) nyzhaoyin 2013-05-07 2013-05-10 10:33:15 by gongyiweimu
[Gaussian] [已完结]大家帮我看看这样分析对没？ (5/679) 婷婷-啦啦 2013-05-09 2013-05-10 03:58:17 by agent99
[Gaussian] 量子化学计算类的文章 (6/1152) 111222000 2013-05-07 2013-05-10 02:38:32 by yongleli
[Gaussian] [已完结][关贴]急求！配合物在高斯09中怎么画，基组怎么设置。 (5/1368) 袁欢 2013-04-06 2013-05-09 18:03:06 by 袁欢
[Gaussian] [已完结]关于轨道能隙 (0/256) 2011210079 2013-05-09 2013-05-09 15:12:08 by 2011210079
[Gaussian] [已完结]想问问酞菁铜的自旋多重度是多少？如果电荷为0的话多重度是不是只能是1？ (0/631) 448112596 2013-05-09 2013-05-09 14:10:05 by 448112596
[Gaussian] [已完结]结构优化 求疑惑解答 (1/319) 小窗夜梦 2013-05-04 2013-05-09 10:39:28 by sjc947440689
[Gaussian] [已完结]成键问题 (1/302) lmingshu 2013-05-05 2013-05-09 10:37:08 by sjc947440689
[Gaussian] [已完结]求助PBEPBE的相关知识资料！！！    ( 1 2 ) (10/2314) 312080310 2013-05-04 2013-05-09 02:44:46 by yongleli
[Gaussian] [已完结]用Gaussian怎么计算亲核性 (1/1336) gcz952849979 2013-05-08 2013-05-09 00:12:47 by sobereva
[Gaussian] [已完结]投稿123 (0/219) zhoulm338 2013-05-08 2013-05-08 20:08:19 by zhoulm338
[Gaussian] [已完结]Gaussian计算苯扎贝特分子的最小能量化 (0/193) neijtczjh 2013-05-08 2013-05-08 10:35:26 by neijtczjh
[Gaussian] [已完结]怎么到高斯log文件里找阈值参数 (1/273) ymxx 2013-05-07 2013-05-07 22:47:59 by gmy1990
[Gaussian] 高斯计算离子盐    ( 1 2 ) (12/2927) 111222000 2013-04-22 2013-05-07 22:27:27 by 111222000
[Gaussian] [已完结]有关gaussian计算分子轨道能级    ( 1 2 ) (15/2641) celine蔡 2013-04-25 2013-05-07 18:31:40 by celine蔡
[Gaussian] [已完结]装rtel6.0不知道装什么版本的好？桌面版还是工作站，还是服务器？我是自己私人用的。    ( 1 2 3 ) (21/1384) ztl19780124 2013-05-04 2013-05-07 17:11:02 by ztl19780124
[Gaussian] 高斯计算离子盐又出现一个问题 (0/956) 111222000 2013-05-07 2013-05-07 14:53:24 by 111222000
[Gaussian] 【求助】qst2找过渡态时遇到这样的问题如何解决？ (4/1619) gnli 2010-05-31 2013-05-07 12:13:29 by jsuwxh
[Gaussian] [已完结]QR-DFT 和 MCSCF+CI是什么方法 (2/483) 会飞的种子 2013-05-06 2013-05-07 11:11:42 by 迷茫的小飞侠
[Gaussian] [已完结]gaussian计算的NMR结果如何拟合成NMR曲线 (0/990) utility 2013-05-07 2013-05-07 10:35:20 by utility
[Gaussian] [已完结]科普重排这个东西机理怎么算。。。。。。 (6/1100) 亍寞 2013-04-28 2013-05-07 07:58:55 by 亍寞
[Gaussian] [已完结]求助关于b3Lyp和bp86算法的介绍，越详细越好，谢谢 (0/572) beyond驹 2013-05-06 2013-05-06 22:16:05 by beyond驹
[Gaussian] 【求助】怎么可以看到高斯每一步优化后的结构？ (11/9234) nkxiaowu 2010-11-22 2013-05-06 12:04:49 by t13340033021
[Gaussian] [已完结]gaussian中自由基 怎样表示？ (4/2927) wofjg2008 2013-05-06 2013-05-06 11:43:27 by wofjg2008
[Gaussian] [已完结]求助关于AlnPt、AlnNi、AlnPd、AlnZr团簇的相关文献 (0/272) zxpersist 2013-05-06 2013-05-06 10:19:02 by zxpersist
[Gaussian] [已完结][关贴]怎样用gaussian算如图的偶极距与角度 (0/423) hongrenchen 2013-05-06 2013-05-06 09:46:43 by hongrenchen
[Gaussian] [已完结]求解气相下自由能的计算 (2/699) keaiweiwei 2013-04-10 2013-05-06 09:11:08 by zt_chem
[Gaussian] [已完结]【求助】用Gauss算A+B=C反应的Gibbs自由能变 (9/1704) kaluoyi2008 2013-01-23 2013-05-06 06:18:30 by zt_chem
[Gaussian] [已完结]高斯计算：想算Pt(CO)n,n=1-6化合物中的羰基频率、超共轭、pai反馈，怎么做？ (6/1156) 小窗夜梦 2013-04-19 2013-05-05 23:53:51 by wolfzhong
[Gaussian] [已完结]求助如何画静电势的图 (5/3262) wozecheng 2013-05-02 2013-05-05 21:23:15 by wozecheng
[Gaussian] gaussian 建模 (0/462) lvxinyuabc 2013-05-05 2013-05-05 21:19:00 by lvxinyuabc
[Gaussian] 有关b3lyp-xdm的输入 (24/1342) jiephoebe 2013-05-03 2013-05-05 17:03:25 by haixiawu
[Gaussian] [已完结]高斯G3计算中出现问题？诉求解决，，， (0/281) 1175780291 2013-05-03 2013-05-03 21:07:21 by 1175780291
[Gaussian] 离子化合物优化 (0/445) 111222000 2013-05-03 2013-05-03 17:29:27 by 111222000
[Gaussian] [已完结]频率计算老是出错 (0/585) yanruo1990 2013-05-03 2013-05-03 15:37:42 by yanruo1990
[Gaussian] Gaussian 过渡态的几何构型怎么表示 (0/925) qian641323 2013-05-03 2013-05-03 15:20:30 by qian641323
[Gaussian] [已完结][关贴]gaussian。gamess中B3LYP-XDM方法如何实现 (0/298) jiephoebe 2013-05-03 2013-05-03 15:20:29 by jiephoebe
[Gaussian] [已完结][关贴]没有过渡态的反应速率常数如何计算？ (1/1466) nnipp 2013-05-01 2013-05-03 12:40:27 by yanrding
[Gaussian] [已完结]NBO计算出来的HOMO-LUMO我在opt+fre计算完成后得到的HOMO-LUMO数值不同怎么回事？ (0/688) 萱月琪琪 2013-05-03 2013-05-03 11:37:55 by 萱月琪琪
[Gaussian] [已完结]离子型有机化合物如何运用周期性边界条件 (0/245) 飞天熊 2013-05-02 2013-05-03 09:25:03 by 飞天熊
[Gaussian] [已完结]求文献中一段话的意思 (5/686) mengfc 2013-05-01 2013-05-02 14:52:44 by lihb734
[Gaussian] [已完结]同位素标记的氘代乙酸的输入文件 (1/563) tuzi198711 2011-08-06 2013-05-01 18:40:09 by xt_llw
[Gaussian] [已完结]高斯算双原子分子替换同位素后，核振动能为零，怎么办？ (1/395) 双胜街 2012-07-15 2013-05-01 18:36:31 by xt_llw
[Gaussian] [已完结]高斯输出文件 (1/495) LynSong 2013-05-01 2013-05-01 17:25:25 by stalart
[Gaussian] [已完结]求C22富勒烯坐标 (2/364) mengfc 2013-04-28 2013-05-01 14:53:31 by mengfc
[Gaussian] 【求助】gaussion03能一次扫描多个势能曲线么    ( 1 2 ) (12/1621) shinee 2010-06-22 2013-04-30 17:57:45 by lyjzhgyh
[Gaussian] 高斯计算酶催化反应的溶剂化模型问题 (1/824) shengxiang 2013-04-28 2013-04-30 12:00:09 by gzl9901
[Gaussian] 【求助】分子轨道图是电子密度图吗？ (5/1671) domilar 2010-08-16 2013-04-30 11:47:41 by seuzzj
[Gaussian] [已完结][关贴]给个用cyclone云计算解决gaussian计算问题的实例? (0/224) zdpp 2013-04-28 2013-04-30 10:57:21 by zdpp
[Gaussian] [已完结]结构优化，频率,gaussian运行后自动停止了，是什么问题？谢谢！ (1/885) 梦琪天堂 2013-04-29 2013-04-29 20:10:36 by stalart
[Gaussian] 打算配置一个单8核的或者两个双4核的机器进行高斯计算，求大神指导如何装备    ( 1 2 ) (11/2203) kavey 2012-12-12 2013-04-29 11:26:12 by ztl19780124
[Gaussian] [已完结]frozen phonon method (1/628) 伶仃未了 2013-04-28 2013-04-28 21:31:46 by lihb734
[Gaussian] [已完结]Error termination request processed by link 9999，如何解决 (6/2147) LinaInverse 2012-01-05 2013-04-28 13:16:02 by yypcnbe
[Gaussian] MP2 计算，结果不一致 (6/909) 黄金比例 2013-04-27 2013-04-28 12:25:54 by 黄金比例
[Gaussian] [已完结]LUMO能级测定 (1/1633) aqyzgsab 2013-04-27 2013-04-28 10:18:45 by truelove
[Gaussian] [已完结]菜鸟问题：怎么利用轨道系数得出电子密度 (7/755) 飞鸟知世 2013-04-22 2013-04-27 12:23:12 by 飞鸟知世
[Gaussian] [已完结]寻找过渡态 (6/905) wodeganjue 2013-04-26 2013-04-27 11:14:21 by wodeganjue
[Gaussian] [已完结]激发态优化 td cis opt计算求助关键词命令行 总是914死掉 (0/494) geyangkangle 2013-04-27 2013-04-27 10:41:43 by geyangkangle
[Gaussian] [已完结]如何查看IR，Roman谱图中的振动峰的振动模式 (2/1830) cug_zhang 2013-04-26 2013-04-27 10:38:35 by xyz7819227
[Gaussian] [已完结]优化二面角问题 (1/322) 119243775 2013-04-27 2013-04-27 10:24:41 by xzz1007
[Gaussian] [已完结]命令相似，结果相差甚远 (0/192) 小窗夜梦 2013-04-27 2013-04-27 09:01:52 by 小窗夜梦
[Gaussian] 【求助】关于g09和g03的formchk和unfchk问题    ( 1 2 ) (11/2829) googo66 2010-06-30 2013-04-27 07:45:00 by qwertybobo
[Gaussian] [已完结]固定一个键长的同时 扫描二面角？    ( 1 2 ) (11/2673) ludeng 2012-04-10 2013-04-27 07:32:05 by xzz1007
[Gaussian] [已完结]gassian 不能运行 permission denied (5/1071) qingeraaa 2013-04-24 2013-04-26 16:08:47 by yanrding
[Gaussian] [已完结]如何判断电子态 (9/2798) nwwolfchj 2012-04-05 2013-04-26 13:42:52 by zhouwohua
[Gaussian] [已完结]求高手帮忙看 gaussion输出文件 (2/840) minifish 2011-07-21 2013-04-26 09:57:42 by xyz7819227
[Gaussian] [已完结]IRC反应物，生成物问题 (5/1157) 119243775 2013-04-24 2013-04-26 08:33:28 by xzz1007
[Gaussian] [已完结][求助]有关寻找过渡态 (4/695) hlq3175 2013-03-23 2013-04-26 08:22:24 by hlq3175
[Gaussian] 关于投稿状态 (0/235) 111222000 2013-04-25 2013-04-25 16:12:17 by 111222000
[Gaussian] [已完结]g09溶剂效应 (5/726) 笨笨熊2号 2013-04-23 2013-04-25 14:50:01 by marson
[Gaussian] [已完结]谁能帮我找到NaC222Na的晶体结构的gjf文件，诚求 (6/764) wangjiangmin 2013-04-23 2013-04-25 09:48:41 by zhangmt
[Gaussian] [已完结]小白求助 (0/227) 神deng呐 2013-04-24 2013-04-24 18:04:48 by 神deng呐
[Gaussian] [已完结]请教几个关于DSSE的问题? (1/417) 风雪江山乱 2013-04-24 2013-04-24 17:14:20 by lihb734
[Gaussian] 发光材料vs 量化 (0/282) daiyuyu 2013-04-24 2013-04-24 15:50:38 by daiyuyu
[Gaussian] [已完结]103错误求助 (1/440) 小窗夜梦 2013-04-23 2013-04-24 14:41:49 by marson
[Gaussian] 【求助】IRC只向反应物方向跑是什么原因？    ( 1 2 ) (16/3105) suny2005 2010-08-10 2013-04-24 14:24:27 by huoyu301
[Gaussian] [已完结]计算报错 Excessive mixing of frozen core and valence orbitals如何解决 (2/1276) qwerasdf2783 2013-04-23 2013-04-24 14:07:13 by qwerasdf2783
[Gaussian] [已完结]Gaussian求助 (5/584) liping888 2013-04-17 2013-04-24 13:09:13 by zhouwohua
[Gaussian] [已完结][关贴]请退还金币 (0/213) CKX 2013-04-24 2013-04-24 12:40:09 by CKX
[Gaussian] 【求助】急！激发态频率计算老是出现 L1014.exe错误！ (4/1220) suosuosky 2010-11-10 2013-04-23 19:41:22 by vivi_nwu
[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 ) (14/4134) xcyqyz5233 2011-07-26 2013-04-23 17:44:48 by hkai80
[Gaussian] [已完结]GaussView.v5.08 打开用G09算出的chk文件但不能看MO (1/967) 小热胖胖 2013-04-22 2013-04-23 13:01:32 by lg1976727
[Gaussian] [已完结]TD计算吸收荧光 (2/478) DHY19860208 2013-04-21 2013-04-23 10:15:31 by DHY19860208
[Gaussian] 在高校，博士毕业四年了，有必要做在职博后么？ (15/2635) lorna639 2011-05-27 2013-04-23 06:17:51 by muliang
[Gaussian] 【求助】求助TDDFT问题    ( 1 2 ) (评阅+2) (12/2554) 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？ (4/1436) zyhappy 2013-04-14 2013-04-22 11:47:39 by zyhappy
[Gaussian] [已完结]irc问题 (4/578) 119243775 2013-04-20 2013-04-21 21:22:30 by stalart
[Gaussian] [已完结]Def2系列的基组 (1/2075) 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 (0/247) 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 ) (11/2297) suosuosky 2011-05-31 2013-04-21 18:10:25 by quantumor
[Gaussian] 【求助】单点能计算 (7/1775) 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。。。 (0/420) 312080310 2013-04-21 2013-04-21 14:16:20 by 312080310
[Gaussian] [已完结][关贴]求gaussview5.0.9 (3/1735) 312080310 2013-04-18 2013-04-21 13:25:31 by wangkj
[Gaussian] [已完结]g09中pcm溶剂效应怎么处理混合溶剂 (2/538) 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 (7/1721) xyz7819227 2013-01-23 2013-04-21 11:14:29 by ZJboy
[Gaussian] [已完结]关于氨水溶液问题 (1/363) zytcjx 2013-04-20 2013-04-21 09:35:46 by stalart
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