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[热点] 有70后还继续奋斗在职场上的吗? legendcd7688 2026-02-04 刚刚
[Gaussian] [已完结]求个xp版的Gaussview 6 (0/1201) ra2ghgzh 2018-01-24 2018-01-24 15:56:13 by ra2ghgzh
[Gaussian] [已完结]求助!!高斯新手,win系统Gaussian09计算结束怎么保存chk文件? (3/3784) 0607_hongnan 2017-06-05 2018-01-24 08:35:24 by kieael
[Gaussian] 【求助】Chem3D下载链接 (3/2447) mountwar 2011-02-26 2018-01-23 22:11:32 by 1192635947
[Gaussian] [已完结]gaussian 09结构优化一直重复计算 (2/1049) wolfwolf 2018-01-22 2018-01-23 16:41:04 by 122ybb
[Gaussian] 2016HNU计算化学训练班    ( 1 2 ) (11/2156) zeminwu32 2016-05-05 2018-01-23 09:10:58 by haha猴子
[Gaussian] [已完结]32G内存,20核,windows系统。怎么设置内存和线程比较合理? (3/752) Ancker 2018-01-16 2018-01-22 23:15:29 by tjchkj
[Gaussian] 求助 (0/425) xiali5464 2018-01-22 2018-01-22 17:35:31 by xiali5464
[Gaussian] [已完结]BSSE矫正问题 (1/600) 潘枝花521 2018-01-22 2018-01-22 13:39:57 by 543760860
[Gaussian] [已完结]高斯计算中原子间mulliken电荷集居 (2/1317) 思考会儿 2012-05-11 2018-01-21 14:36:43 by 雪衣冰蝶
[Gaussian] [已完结]高斯计算 freq 结果里的 forces 到底是哪种力? (7/1453) crosschannel 2017-10-15 2018-01-21 14:06:46 by beefly
[Gaussian] [已完结]不同温度下热力学在gaussian view 中怎么设 (5/1349) 莫南帆 2016-09-30 2018-01-21 13:26:07 by gangyecp
[Gaussian] [已完结]求助高斯03版本软件(只要03版本的)谢谢!! (0/537) 小老婆 2018-01-21 2018-01-21 01:21:17 by 小老婆
[Gaussian] [已完结]反应路径计算的时候(吉布斯自由能计算),想加上电极反应的电位 (0/999) anmin0127 2018-01-20 2018-01-20 20:17:07 by anmin0127
[Gaussian] [已完结]亨利常数计算 (0/509) 挺雪的翅膀 2018-01-19 2018-01-19 10:13:20 by 挺雪的翅膀
[Gaussian] Exploring Chemistry with Electronic Structure Methods (7/1602) xujc1983 2015-04-20 2018-01-19 06:49:27 by 李俊霞ai于杰
[Gaussian] 要想文章有档次你得加点理论计算    ( 1 2 3 ) (103/2936) 含能材料 2017-02-09 2018-01-18 20:30:02 by ycxmc
[Gaussian] gaussian 中BMK 这个泛函怎么用 ,直接写 bmk/6-31G(d)吗? (2/1816) 苏格拉没有地 2018-01-08 2018-01-17 08:45:48 by 09三石头
[Gaussian] [已完结]有几个关于HOMO和LUMO的问题请教一下大家 (6/1615) 啊哦呃咦呜吁 2017-12-26 2018-01-17 08:44:08 by 09三石头
[Gaussian] 荧光求助 (22/468) 别傻了 2017-11-13 2018-01-15 12:17:31 by 别傻了
[Gaussian] [已完结][关贴]求Ni2CO3(OH)2(羟基碳酸镍)的cif文件 (2/653) anmin0127 2018-01-12 2018-01-15 09:15:21 by anmin0127
[Gaussian] [已完结]通过高斯构象搜索知道化合物各个构象的能量,怎么求其玻尔兹曼分布?感谢!!! (2/1281) Ancker 2018-01-11 2018-01-12 18:31:15 by Ancker
[Gaussian] [已完结]20金币紧急求助关于高斯 (8/1400) zhurl123 2012-08-17 2018-01-12 10:10:11 by 09三石头
[Gaussian] [已完结]请问高斯如何计算3种物质混合后的反应问题 (0/567) yeahhanpei 2018-01-11 2018-01-11 19:30:57 by yeahhanpei
[Gaussian] 【资源】分享资源 gaussian view的使用    ( 1 2 3 4 5 6 .. 7 ) (315/13492) vipxj 2011-04-13 2018-01-11 08:00:47 by xdd198537
[Gaussian] gaussian 09 计算激发态 (3/583) 苏格拉没有地 2018-01-10 2018-01-10 20:40:58 by lytclpf
[Gaussian] [已完结]高斯09怎样设置计算完一个自动计算下一个呢 (2/472) 左岸右转2016 2018-01-10 2018-01-10 20:26:42 by ra2ghgzh
[Gaussian] [已完结]高斯优化 (2/598) wuqiuyue 2018-01-09 2018-01-10 11:07:20 by wuqiuyue
[Gaussian] [已完结]win版下,GuassView 可以交个多个高斯作业依次计算么?能的话,怎么提交? (2/1034) 龙心王 2015-06-01 2018-01-10 08:50:08 by baylion
[Gaussian] 【求助】高斯09chk转fchk丢失数据的问题    ( 1 2 3 ) (25/6467) NUPT 2010-03-23 2018-01-09 14:20:21 by lpandly
[Gaussian] [已完结]TD/B3LYP-D3的输入文件和结果问题 (2/5871) tandz 2015-05-17 2018-01-08 12:54:37 by zhangpengju
[Gaussian] 在进行高斯计算时如何消去虚频(转载) (18/7907) cjl1761 2012-02-23 2018-01-07 10:45:52 by yex102350419
[Gaussian] [已完结][关贴]gaussian09 linux 64 并行版 (0/655) zhangpengju 2018-01-04 2018-01-04 11:41:22 by zhangpengju
[Gaussian] [已完结]Linux Gaussian09 无法安装。。求高人指点    ( 1 2 ) (10/3736) Fenixknick 2011-06-06 2018-01-01 19:59:38 by 农夫的山泉
[Gaussian] 【求助】各位大哥,请问怎么看高斯的输出文件?    ( 1 2 ) (12/3666) wdali 2010-04-04 2017-12-31 13:05:26 by ll1111111100
[Gaussian] [已完结]IRC走势出问题 (2/3195) 沐春风110 2017-12-13 2017-12-30 11:59:59 by aichizhutide
[Gaussian] [已完结]TD-DFT计算时涉及两种及多种溶剂时要怎样输入关键词 (4/758) 潘枝花521 2017-12-28 2017-12-29 16:35:19 by 小范范1989
[Gaussian] [已完结][关贴]求gaussian09 linux 安装包 (1/489) zhangpengju 2017-12-28 2017-12-28 15:50:25 by zhangpengju
[Gaussian] [已完结]关于高斯寻找过渡态,跪求各位大神指点啊    ( 1 2 ) (16/2393) 植物人的米 2014-07-14 2017-12-27 11:53:00 by li864213133
[Gaussian] [已完结]二面角扫描问题    ( 1 2 ) (11/2969) xida-hg 2017-01-15 2017-12-27 07:11:49 by 不美女纸2017
[Gaussian] [已完结]新人求助~~~ (0/330) ChanningGe 2017-12-26 2017-12-26 21:27:13 by ChanningGe
[Gaussian] [已完结]ONIOM中的电荷和自旋应该怎么写? (2/687) ra2ghgzh 2017-12-22 2017-12-26 16:23:38 by ra2ghgzh
[Gaussian] 适用于win10的高斯09 (2/1173) 飞行鸟 2017-12-07 2017-12-24 22:39:26 by gfghfh
[Gaussian] [已完结]活性炭纤维吸附汞的建模问题 (4/1049) 能源人 2014-06-03 2017-12-23 17:38:11 by 15659922101
[Gaussian] [已完结]混合基组 (0/339) 15659922101 2017-12-23 2017-12-23 13:50:47 by 15659922101
[Gaussian] [已完结]量化新手 求用高斯计算后的输出文件内容的详细解释 (0/490) 枫yjf 2017-12-22 2017-12-22 14:42:53 by 枫yjf
[Gaussian] [已完结]优化得到的结构不能进行其他计算(求大神帮助) (1/1598) 1175704118 2017-12-21 2017-12-21 19:21:31 by ra2ghgzh
[Gaussian] 自由能计算求助 (0/266) yrjing1224 2017-12-21 2017-12-21 15:43:07 by yrjing1224
[Gaussian] [已完结]退学是好的选择吗? (5/1094) renzhiyong 2014-03-10 2017-12-20 18:31:50 by 蚊子12345
[Gaussian] gaussian输出文件中查看超极化率即红外跃迁偶极矩偏导数和拉曼极化率偏导数 (2/960) 1147137192 2017-12-20 2017-12-20 10:50:24 by 翰军
[Gaussian] [已完结]小白求助~怎样用Gauss View搭建臭氧分子? (0/527) ecnuyang 2017-12-20 2017-12-20 09:31:19 by ecnuyang
[Gaussian] [已完结]高斯计算重组能 (9/3617) pq33714 2013-11-05 2017-12-19 13:39:55 by 2016216013
[Gaussian] [已完结]用Gaussian计算Fukui Function应该加什么样的关键词    ( 1 2 ) (10/2488) ZZU2011 2013-11-29 2017-12-19 07:36:34 by 18786733728
[Gaussian] [已完结]高斯L1报错求助 (8/3970) huanghl2010 2012-07-25 2017-12-19 06:42:09 by Somnus1993
[Gaussian] [已完结]氧气分子参与的自由基反应体系的自旋多重度问题 (0/1048) yex102350419 2017-12-18 2017-12-18 22:04:39 by yex102350419
[Gaussian] [已完结]比较化合物不同位点的脱氢能大小 (0/243) 琳琳琳- 2017-12-18 2017-12-18 21:27:17 by 琳琳琳-
[Gaussian] 如何从势能面扫描判断有无TICT效应? (0/376) 少年之华 2017-12-18 2017-12-18 19:47:39 by 少年之华
[Gaussian] [已完结]偶极矩大小与方向的两个问题 (0/533) dengdan092 2017-12-18 2017-12-18 16:00:07 by dengdan092
[Gaussian] [已完结]如何利用gaussview的输出文件得到pdb文件 (8/3835) wlgcxy2007 2014-07-09 2017-12-18 14:06:59 by 锅包肉等我
[Gaussian] [已完结]IRC两个方向趋势相同 (0/677) 独孤立啊 2017-12-18 2017-12-18 11:39:43 by 独孤立啊
[Gaussian] [已完结]求高斯安装软件 (4/1544) 京京小姐 2016-11-06 2017-12-18 10:45:20 by 石小丘
[Gaussian] [已完结]高斯怎么优化带正电荷的分子 (3/3320) RRAM 2015-01-21 2017-12-18 06:47:19 by 义~~~~~
[Gaussian] [已完结]如何用高斯计算分子基态与激发态偶极矩? (3/1590) 少年之华 2017-12-16 2017-12-16 18:20:23 by 少年之华
[Gaussian] [已完结]过渡金属混合基组的用法 (3/1166) fsh3175 2012-07-03 2017-12-16 07:45:29 by 锅包肉等我
[Gaussian] [已完结]怎么计算分子内盐的HOMO和LUMO (8/2770) 啊哦呃咦呜吁 2017-12-13 2017-12-15 11:02:47 by 啊哦呃咦呜吁
[Gaussian] [已完结][关贴]高斯能得到,原子之间的键能吗,能,如何操作 (2/550) 变成小神 2017-12-12 2017-12-13 16:35:23 by 变成小神
[Gaussian] [已完结]高斯 (2/503) 请寄笔墨 2017-12-12 2017-12-13 16:19:14 by 含能材料
[Gaussian] [已完结]6-311+G(d,p) 和 6-311G+(d,p)有何不同??? (3/1273) lizongy 2017-12-13 2017-12-13 11:37:30 by 含能材料
[Gaussian] [已完结]答审稿人问题,及 (0/343) lixiaona158 2017-12-13 2017-12-13 10:59:46 by lixiaona158
[Gaussian] [已完结]量化计算中分子不同位置的质子化顺序怎么判断? (0/568) zhaobozhou 2017-12-12 2017-12-12 15:24:31 by zhaobozhou
[Gaussian] [已完结]如何通过tran和cis构象的能量差值来确定它们的百分比。 (2/805) xixi1007 2017-12-11 2017-12-12 09:51:54 by ra2ghgzh
[Gaussian] [已完结]带有B配体的Cu(I)配合物发光理论计算时需要考虑色散校正吗? (0/331) huihuibulaji 2017-12-11 2017-12-11 15:17:20 by huihuibulaji
[Gaussian] [已完结]怎么消除多余的虚频 (5/1838) valentino_bo 2017-11-16 2017-12-10 18:31:12 by 默默smile
[Gaussian] [已完结]fchk文件打不开??? (1/4511) yuyu鱼 2017-12-09 2017-12-10 18:27:47 by 默默smile
[Gaussian] 过渡态 (1/369) 请寄笔墨 2017-12-08 2017-12-10 18:18:55 by 默默smile
[Gaussian] 超分子    ( 1 2 ) (50/492) 别傻了 2017-12-09 2017-12-09 15:18:31 by coordi2per
[Gaussian] [已完结]如何利用gaussview 显示某一个成键的键能,谢谢! (1/925) 灵魂双舞 2017-12-05 2017-12-08 22:05:21 by 含能材料
[Gaussian] [已完结]高斯09,高斯view求助。    ( 1 2 3 ) (27/4199) fan5561777 2017-12-03 2017-12-08 21:13:34 by fan5561777
[Gaussian] 高斯 (0/322) 请寄笔墨 2017-12-08 2017-12-08 15:24:13 by 请寄笔墨
[Gaussian] 过渡态能垒计算 (7/2718) li864213133 2017-12-06 2017-12-08 13:15:05 by 默默smile
[Gaussian] 高斯 (1/445) 请寄笔墨 2017-12-08 2017-12-08 13:11:46 by 默默smile
[Gaussian] [已完结]柔性扫描C-O键的势能曲线,该怎么写gauss配置文件 (2/3716) habit0704 2017-09-27 2017-12-08 09:57:09 by 默默smile
[Gaussian] [已完结]ADMP关键词与 IRC 究竟有什么区别 (3/1206) t13340033021 2012-12-30 2017-12-07 13:35:48 by zhuxiaodiu
[Gaussian] Gaussian (5/559) 请寄笔墨 2017-12-06 2017-12-07 12:39:33 by 请寄笔墨
[Gaussian] [已完结]还是高斯能量计算问题 (1/559) LJY2513 2017-12-07 2017-12-07 10:06:56 by 李甲乙丙丁
[Gaussian] Gaussianview (2/494) 请寄笔墨 2017-12-06 2017-12-06 20:27:04 by coordi2per
[Gaussian] [已完结]求 Exploring chemistry with electronic structure methods 中例题的输入文件 (2/1854) hplc303 2017-03-28 2017-12-05 19:12:53 by nukenk
[Gaussian] 理论计算 (0/365) 请寄笔墨 2017-12-05 2017-12-05 18:54:16 by 请寄笔墨
[Gaussian] [已完结]怎么解决高斯不收敛的问题,是怎么了 (1/488) 变成小神 2017-12-05 2017-12-05 16:17:31 by zhou2009
[Gaussian] G09 怎么计算radical spin density (0/823) lianghuashou 2017-12-05 2017-12-05 15:27:41 by lianghuashou
[Gaussian] 请问win版gaussian默认核数是多少呢? (5/3935) lastzealot 2017-11-17 2017-12-05 11:01:06 by tjchkj
[Gaussian] 哪儿有sob老师的培训讲义啊? (10/2206) xiayu1985 2017-11-30 2017-12-05 10:47:08 by tjchkj
[Gaussian] [已完结]请问在优化时,能量一直下降,无震荡,有没有好的解决方法呢? (0/574) 凯小萌 2017-12-04 2017-12-04 13:12:01 by 凯小萌
[Gaussian] [已完结]比赛急!请问gaussian里哪个按钮是算结构能量的 (3/929) 颓废化学师 2017-11-21 2017-12-04 10:50:08 by 我是菜菜同学
[Gaussian] [已完结]求助计算分子的前线分子轨道能级 (3/2116) 740033391 2017-02-18 2017-12-02 08:42:05 by fan5561777
[Gaussian] 如何用高斯计算氧化还原电势的自由能变化? (28/1749) ywzqian、 2017-12-01 2017-12-01 17:38:52 by 谁家那小孩
[Gaussian] [已完结]如何使用高斯软件计算分子的HOMO和LUMO能级    ( 1 2 ) (15/9396) hanrongmei 2016-06-24 2017-11-30 21:17:21 by 冯亚娟
[Gaussian] [已完结]求助,跃迁偶极矩,基态激发态固有偶极矩如何计算? (5/2255) MTM864338467 2016-12-02 2017-11-30 16:13:03 by MTM864338467
[Gaussian] 关于G09计算激发态偶极矩,基态偶极矩,跃迁偶极矩的讨论    ( 1 2 ) (16/6366) arisun8818 2013-03-15 2017-11-30 16:11:42 by MTM864338467
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