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[热点] CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优 雨念 2026-02-06 刚刚
[Gaussian] [已完结]怎么查看Gaussian优化后文本文件中的SCF值 (3/640) 绝对幻想aj 2014-03-17 2014-03-18 07:43:02 by 枪下游魂
[Gaussian] [已完结][关贴]帮忙用导出的高岭石结构的cif文件画出用于gaussian优化的结构，紧急 (7/1586) cumt111 2014-03-16 2014-03-17 13:08:30 by cg陈
[Gaussian] [已完结]Trajectory Step Size = 0.250 sqrt(amu)*bohr什么意思？ (2/567) lixiaona158 2014-03-14 2014-03-17 09:24:06 by lixiaona158
[Gaussian] [已完结]高斯输出的结果的小数点位数太少 (9/1609) 836449366 2014-03-15 2014-03-16 20:12:44 by 836449366
[Gaussian] Gaussian09D01版本，说明书有笔误 (5/1283) yjcmwgk 2014-03-15 2014-03-16 15:49:04 by quantumor
[Gaussian] [已完结]如何能求出体系更多的轨道能级，跪求解答...    ( 1 2 ) (11/976) 赵奇一 2014-03-15 2014-03-16 10:54:29 by 赵奇一
[Gaussian] [已完结]高斯计算出的分子能级的能量是绝对值嘛？    ( 1 2 ) (15/3419) 龙山狮崖 2013-12-12 2014-03-15 20:55:45 by 龙山狮崖
[Gaussian] 关于gaussian中轨道成分分析    ( 1 2 ) (16/3559) nybz1986lizi 2011-05-03 2014-03-15 18:56:02 by sobereva
[Gaussian] [已完结]求解高斯输出结果三部分的区别 (2/445) C_X_L 2014-03-13 2014-03-15 15:35:38 by chanyu1990
[Gaussian] [已完结]gaussview打不开chem3D里的*.mol文件啊！ (3/3147) 小小3161 2013-12-27 2014-03-15 13:30:12 by 小小3161
[Gaussian] [已完结]配合物键角和键长的变化该如何解释？ (2/1759) nanlaifeng 2014-03-14 2014-03-14 23:57:17 by wangjun890
[Gaussian] [已完结]请问溶剂极性对分子激发态稳定性的影响怎么计算 (2/981) diligence89 2014-03-12 2014-03-14 21:31:33 by cg陈
[Gaussian] [已完结]求基于linux系统的GAUSSIAN 03软件 (3/479) doudoucao 2011-08-31 2014-03-14 18:38:24 by lijiaqi82
[Gaussian] [已完结]用QST3找过渡态，出现L1错误 (2/734) 赵文华110 2014-03-14 2014-03-14 16:29:33 by 小虫1989
[Gaussian] 【求助】能同时在linux系统下安装g09和g03吗？    ( 1 2 ) (14/2458) easygeton 2010-06-10 2014-03-14 14:13:30 by mini134
[Gaussian] [已完结]如何在Linux上导入写好的gaussian的gif文件    ( 1 2 ) (14/1536) nima0332 2014-03-12 2014-03-14 14:12:20 by nima0332
[Gaussian] [已完结]高斯计算opt+freq正确频率没有负频为什么拉曼光谱算不出    ( 1 2 ) (10/2579) cczjkd 2013-12-18 2014-03-14 12:08:24 by yypcnbe
[Gaussian] [已完结]用GS查找能态对应的角动量 (2/285) C_X_L 2014-02-18 2014-03-14 12:06:19 by 1209476778
[Gaussian] [已完结]高斯计算中的自旋和电荷有问题 (2/658) 忧伤的小猪 2014-03-06 2014-03-14 11:02:14 by 忧伤的小猪
[Gaussian] [已完结]关于文献中基组的表达方式 (0/413) youyno 2014-03-13 2014-03-13 22:11:17 by youyno
[Gaussian] 二阶微扰稳定化能跟键长有关系吗？ (0/623) lengyuye10 2014-03-13 2014-03-13 21:15:21 by lengyuye10
[Gaussian] [已完结]刚性扫描，多次算不出来，怎么回事    ( 1 2 ) (12/1701) xiemeng101 2014-03-13 2014-03-13 21:12:19 by xiemeng101
[Gaussian] [已完结]求指点：自然键轨道分析里面稳定化能的取值问题 (1/355) lengyuye10 2014-03-12 2014-03-13 21:09:46 by lengyuye10
[Gaussian] [已完结][关贴]ZIndo计算吸收光谱报错求助 (0/570) gougaozhan 2014-03-13 2014-03-13 16:23:25 by gougaozhan
[Gaussian] [已完结]在Linux运行gaussian，如何观察高斯程序正在进行运算呢？？ (6/2921) nima0332 2014-03-12 2014-03-13 11:05:54 by nima0332
[Gaussian] [已完结]gaussview中看到输出结果的能量是什么能量 (3/1917) 大哏林 2014-03-12 2014-03-13 09:32:04 by 潘冠宇
[Gaussian] [已完结]标准焓 (0/282) 156128305 2014-03-13 2014-03-13 08:44:51 by 156128305
[Gaussian] Normal Mode Analysis (23/5769) 卢静 2014-03-11 2014-03-12 14:57:15 by xieshen0321
[Gaussian] [已完结]新人求助：对A+B=C+D的反应，用QST2寻找过渡态，反应物，生成物坐标该怎么创建 (6/2470) 虎毛 2012-07-19 2014-03-12 12:32:35 by 刘小伟110
[Gaussian] [已完结]EpsInf 和RSolv的数据在哪里能够得到？ (1/1106) shc123456 2011-12-22 2014-03-12 07:38:01 by 幸运兔
[Gaussian] [已完结]【求问输出LOG文件过大的问题】 (1/442) 铁人火枪哥 2014-03-11 2014-03-11 18:07:07 by 枪下游魂
[Gaussian] [已完结]振动分析的精度 (3/683) agent99 2013-07-27 2014-03-11 17:31:45 by beefly
[Gaussian] [已完结]吸附能的问题，好纠结 (0/428) 能源人 2014-03-11 2014-03-11 16:55:31 by 能源人
[Gaussian] [已完结]ECD计算 (3/767) lanseyimi 2014-03-10 2014-03-11 15:50:17 by CKX
[Gaussian] [已完结][关贴]质子溶剂用什么模型较好？Radii用什么好？ (0/211) liweiyi123456 2014-03-10 2014-03-11 15:47:32 by liweiyi123456
[Gaussian] [已完结]计算过渡态的一点问题-新手求教 (0/542) crazyob 2014-03-10 2014-03-11 15:46:47 by crazyob
[Gaussian] [已完结]G2方法的使用 (3/1301) 156128305 2014-03-10 2014-03-11 13:29:49 by 枪下游魂
[Gaussian] [已完结]如何标出Gauss09计算输出文件中两原子之间的距离（键长）和键角等数据？    ( 1 2 ) (11/5185) 804500719 2013-11-17 2014-03-11 12:37:35 by gouna
[Gaussian] [已完结]TS2寻找过渡态的请教 (5/1212) 小罗008 2014-03-07 2014-03-10 21:58:26 by 小罗008
[Gaussian] [已完结]优化后的键角和键长与实验值相差多少才算是合理可用的？ (2/508) gouna 2014-03-08 2014-03-10 20:49:29 by gouna
[Gaussian] [已完结]irc 分析两端均为反应物 (7/1287) haiqin28 2011-10-28 2014-03-10 13:42:20 by 纸飞机草根
[Gaussian] [已完结]Gaussian计算红外光谱求助... (5/2067) wangluning 2011-07-18 2014-03-10 13:04:28 by limiao1024
[Gaussian] [已完结]gv是如何保存为qst2型输入文件 (2/977) 小罗008 2014-03-09 2014-03-10 08:54:32 by CelinIris
[Gaussian] 请教大家一个问题，关于TiO2中O和Ti之间是怎么成键的？ (18/3220) 1014104472 2014-03-07 2014-03-09 08:01:27 by 卡开发发
[Gaussian] 【分享】结果分析处理的小软件 (评阅+5) (2/1070) hakuna 2010-06-13 2014-03-09 07:51:59 by donggaomin
[Gaussian] [已完结]CD计算基组选择，请高手指点，金币，多钱可送上。 (7/1046) huangxishan13 2014-03-05 2014-03-08 18:39:40 by huangxishan13
[Gaussian] [已完结]Stuttgart/Dresden赝势的ECP基组具体是哪个？ (3/1583) nanlaifeng 2014-03-08 2014-03-08 18:05:48 by nanlaifeng
[Gaussian] [已完结]关于LANL2DZ加f极化函数的问题 (5/2196) xiaopiner 2014-03-06 2014-03-08 15:20:02 by xiaopiner
[Gaussian] [已完结][关贴]请教EDDM与CDD的区别与联系。 (0/815) gengle 2014-03-08 2014-03-08 13:13:10 by gengle
[Gaussian] [已完结]生成焓 (3/827) 156128305 2014-03-07 2014-03-08 09:11:38 by 156128305
[Gaussian] 初学gaussview哪位大神传授些入门技巧    ( 1 2 ) (11/2594) yu947937636 2014-02-21 2014-03-08 07:25:08 by Rr0426
[Gaussian] 【经验】在windows下运行多个gaussian的方法    ( 1 2 3 ) (评阅+3) (22/3244) 王中学 2010-05-05 2014-03-08 04:20:31 by Rr0426
[Gaussian] [已完结]Counterpoise计算的输入文件怎么编？ (1/610) ylm1507 2014-03-06 2014-03-07 00:57:19 by brighttime
[Gaussian] [已完结]溶剂化自由能 (8/2413) luyang_982 2014-03-04 2014-03-06 15:32:50 by luyang_982
[Gaussian] [已完结]高斯L999错误 (6/3323) 赵文华110 2014-03-05 2014-03-06 13:18:46 by 枪下游魂
[Gaussian] [已完结]高斯计算结果询问 (3/1481) 小罗008 2014-03-05 2014-03-06 13:00:38 by 枪下游魂
[Gaussian] [已完结]振动能级之间的能量差怎么计算？ (7/4421) zhangyujin 2014-03-04 2014-03-06 08:27:33 by zhangyujin
[Gaussian] [已完结]光解产生 电子激发态的 降解势能面的问题 (6/1535) 易晶2013 2014-03-04 2014-03-05 23:41:53 by virtualzx
[Gaussian] [已完结]分子键能计算 (3/1079) 灬小小轩 2014-03-05 2014-03-05 20:44:11 by 灬小小轩
[Gaussian] Zn(NH3)m(H2O)n溶液中结构优化使用哪种溶剂模型效果比较好（m+n=4,5,6）？ (2/484) nanlaifeng 2014-03-05 2014-03-05 20:29:40 by 血性红魔
[Gaussian] [已完结]Gaussian计算NBO布居数反转是什么意思 (2/921) cpylovelove 2014-03-04 2014-03-05 19:35:51 by cpylovelove
[Gaussian] [已完结]关于G03基组查询问题 ANO6532 (2/578) 最后的张起灵 2012-10-09 2014-03-05 18:18:35 by youyno
[Gaussian] [已完结]如何对于第五周期以上的元素使用全电子基组？ (5/1605) youyno 2014-03-05 2014-03-05 11:14:49 by 枪下游魂
[Gaussian] [已完结]有关高斯算晶体的 (7/3343) lei234 2012-03-24 2014-03-05 10:31:08 by yex102350419
[Gaussian] 关于LANL2DZ加极化函数的问题    ( 1 2 ) (15/2787) zhficcas 2011-05-20 2014-03-05 06:36:08 by xiaopiner
[Gaussian] [已完结]构型优化时出错Error termination request processed by link 9999. (9/1902) wf900828 2014-02-27 2014-03-04 22:48:58 by z2xw56
[Gaussian] [已完结][关贴]一个配合物的低波段拉曼光谱可以用软件预测吗？ (1/458) THX4210 2014-03-02 2014-03-04 20:21:58 by jiewei
[Gaussian] [已完结]高斯2070错误 (2/2799) hellockh 2014-03-04 2014-03-04 20:20:34 by hellockh
[Gaussian] [已完结][关贴]高斯进行一些有机物和配合物的紫外可见光谱解析的求助 (7/922) anmin0127 2013-12-25 2014-03-04 19:27:28 by anmin0127
[Gaussian] [已完结][关贴]电脑不行，谁能帮忙算一算这四个化合物在0-100cm-1的Roman光谱~ (3/441) qiuqiming 2014-03-03 2014-03-03 21:55:00 by lxying
[Gaussian] [已完结]有关方法和基组 (6/1258) C_X_L 2014-02-24 2014-03-03 14:12:32 by C_X_L
[Gaussian] [已完结]悬赏求GaussView 5.0.9 for Linux 64位    ( 1 2 ) (11/2106) chr0247 2014-02-26 2014-03-03 12:23:21 by qchem
[Gaussian] [已完结][关贴]如何用Chemoffice内置的Gaussian预测某一波段的红外？ (1/1101) qiuqiming 2014-03-03 2014-03-03 11:12:59 by jyzhao1981
[Gaussian] [已完结]本人计算小白一坨，大侠请进：高斯计算位点 (0/422) 钓猫的小鱼 2014-02-28 2014-03-03 11:11:36 by 钓猫的小鱼
[Gaussian] [已完结]高斯优化至l502连续出现5个restarting incremental fock formation！ (0/3232) madelineli 2014-03-01 2014-03-03 11:10:23 by madelineli
[Gaussian] [已完结]关于过渡态的Hinderedrotor计算出错问题 (0/458) 154552485 2014-03-01 2014-03-03 11:10:04 by 154552485
[Gaussian] [已完结]成键类型的判断 (3/1368) xllifan 2014-03-02 2014-03-02 19:55:23 by Easony
[Gaussian] 【求助】请教关于磁耦合常数的计算 (5/1583) waterlily1715 2010-05-07 2014-03-02 11:22:48 by mengfc
[Gaussian] [已完结]有关高斯软件算能谱的关键语句恳求大神解答 (1/231) 赵奇一 2014-02-26 2014-03-02 08:11:11 by 赵奇一
[Gaussian] [已完结]b3lyp/3-21g找过渡态，用b3lyp/6-31g*优化时，就老跑偏然后成键了... (7/1713) ludeng8710 2012-02-28 2014-03-02 07:58:48 by yurivivi
[Gaussian] [已完结]Gaussian 输入文件中T是代表什么，知道的大神，麻烦回复打几个字，谢谢了啊！ (5/1290) qinqs 2014-02-28 2014-03-01 07:06:33 by jiameiye
[Gaussian] [已完结]L101错误 (4/1266) 赵文华110 2014-02-27 2014-02-28 18:18:11 by gengle
[Gaussian] [已完结]比较基组大小 (3/1577) 科学岛 2014-02-28 2014-02-28 15:58:31 by Easony
[Gaussian] [已完结]有关TD方法求电子光谱的疑惑 (5/1009) 赵奇一 2014-02-27 2014-02-28 11:48:01 by 枪下游魂
[Gaussian] [已完结]计算求助 (8/706) vikkihe 2014-02-26 2014-02-28 11:30:22 by zhou2009
[Gaussian] [已完结]CASSCF方法可以作scan吗    ( 1 2 ) (10/2011) sand1314 2014-02-26 2014-02-28 10:34:14 by sand1314
[Gaussian] [已完结]过渡态优化出现两个虚频 (5/1980) fzliyang 2014-02-27 2014-02-28 02:02:59 by fzliyang
[Gaussian] [已完结]哪位大神帮帮忙 (4/1010) langziyefeng 2014-02-26 2014-02-27 19:25:11 by langziyefeng
[Gaussian] [已完结]过渡态优化问题求助    ( 1 2 ) (13/1998) 茕茕恭煮 2014-02-25 2014-02-27 17:25:11 by 茕茕恭煮
[Gaussian] [已完结]加溶剂后计算，不收敛，请高手指点 (5/2542) ziyundl 2012-02-11 2014-02-27 11:59:09 by gaoshizhu
[Gaussian] [已完结]有关高斯算电子光谱特征的问题 (1/307) C_X_L 2014-02-27 2014-02-27 10:48:55 by beefly
[Gaussian] [已完结]Gaussian view中怎样将分子模型转化为图片，以便在论文中使用？ (3/1013) xuemeng111 2014-02-24 2014-02-26 22:14:19 by xuemeng111
[Gaussian] [已完结]高斯view中怎么导出UV数据中纵坐标为谐振强度 (2/419) 忧伤的小猪 2014-02-25 2014-02-26 16:43:20 by debai
[Gaussian] [已完结]GS使用过程中遇到的的一些错误，急求牛人解决！ (0/217) C_X_L 2014-02-26 2014-02-26 16:22:25 by C_X_L
[Gaussian] [已完结]# ub3lyp/gen aim=all 中的aim=all 是计算什么用到的 (1/425) xiemeng101 2014-02-26 2014-02-26 11:31:55 by youyno
[Gaussian] [已完结]请教如何用GV画团簇的结构图，急！    ( 1 2 ) (10/2599) 赵奇一 2014-02-24 2014-02-26 09:08:08 by jiewei
[Gaussian] [已完结]BSSE校正 (5/712) 李晓绒 2014-02-25 2014-02-26 08:53:43 by lxying
[Gaussian] [已完结][关贴]Gaussian版权问题 (7/2554) gougaozhan 2014-02-16 2014-02-26 08:03:43 by qchem
[Gaussian] [已完结]各位大神谈谈计算HOMO/LUMO能量提高速度or精度的途径吧 (1/1160) hicainiao 2014-02-25 2014-02-25 23:10:47 by 绍敏郡主
[Gaussian] [已完结]请问哪里可以计算化合物的绝对构型？ (0/390) airqm7233528 2014-02-25 2014-02-25 22:59:40 by airqm7233528
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