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[热点] 退学或坚持读 难忘2018 2026-02-04 刚刚
[Gaussian] [已完结]求助大神 (2/472) 1845200271 2017-09-03 2017-10-09 20:44:13 by dingd
[Gaussian] 计算不收敛 (1/491) yrjing1224 2017-09-28 2017-10-09 16:38:03 by 704865589
[Gaussian] 关于合成甲醇的求助 (3/442) xueqingtao 2017-10-09 2017-10-09 12:46:46 by 蓝菲雨飞
[Gaussian] [已完结]高斯计算出错 (4/2698) 忧伤的小猪 2014-03-30 2017-10-09 10:57:22 by Kitty吃大蒜
[Gaussian] [已完结]【新人求助】IRC计算不能回到反应物…… (9/2720) Van_vega 2017-10-07 2017-10-09 10:23:13 by Van_vega
[Gaussian] [已完结]gaussian09计算紫外吸收光谱和实验误差较大 (1/1037) wandong8994 2017-10-08 2017-10-08 13:17:00 by 天天进步啊
[Gaussian] [已完结]Guassian求助 (1/465) 17772807892 2017-10-07 2017-10-07 23:16:44 by 量子力学112
[Gaussian] [已完结]关于gaussview多重态分子MOs中的HOMO和LOMO能级的确定 (1/7562) luche 2017-10-06 2017-10-06 16:44:05 by xyyan
[Gaussian] [已完结]求助求助 GuassView读取.gif出了问题 (3/1569) 颓废化学师 2017-10-03 2017-10-06 10:33:11 by 小范范1989
[Gaussian] 请问,带虚线的后两个键是什么意思? (3/917) 戒律清规 2017-10-02 2017-10-02 21:43:22 by grayjzr
[Gaussian] [已完结]同分异构体能量比较稳定性    ( 1 2 ) (10/5168) huyingmm 2017-07-10 2017-10-02 18:13:54 by zhenshifan
[Gaussian] 计算结果与实验不一致 (0/368) zhaojiatuan 2017-10-01 2017-10-01 15:30:14 by zhaojiatuan
[Gaussian] [已完结]怎么在gaussview上显示分子偶极距 (1/828) lplunanjing 2017-09-20 2017-09-29 23:08:43 by Puying
[Gaussian] chk文件转换fchk文件 (5/2088) zhaojiatuan 2017-09-29 2017-09-29 19:05:27 by zhaojiatuan
[Gaussian] [已完结]BDE计算 (1/671) younggood 2017-09-29 2017-09-29 13:45:26 by wrxnyd54
[Gaussian] [专家] Gaussian用冗余内坐标优化大分子结构时的问题 (评阅+5) (9/3128) beefly 2014-11-19 2017-09-29 09:30:35 by beefly
[Gaussian] 求助这个轨道的电子占据数分析方法    ( 1 2 3 4 5 6 .. 12 ) (575/3469) yuyangzap 2017-09-21 2017-09-28 19:49:33 by fapjvts17
[Gaussian] [已完结]请教自旋多重度的问题 (2/1018) sunday6392 2017-09-12 2017-09-27 09:31:19 by nyoxd
[Gaussian] [已完结]高斯 opt+fre l502错误    ( 1 2 3 ) (24/4009) 晓玉儿 2012-06-30 2017-09-27 08:30:50 by houhou0123
[Gaussian] [已完结]过渡金属配合物构型优化遇到问题 (1/577) 高歌123 2017-09-26 2017-09-26 15:32:00 by 高歌123
[Gaussian] [已完结]计算出现错误 遇到错误什么的最痛苦了 (8/2529) 能源人 2014-04-14 2017-09-25 07:13:27 by 夜华浅浅
[Gaussian] [已完结][关贴]激发态计算中,如何得到T1,T2激发态的相应的轨道信息? (5/2052) 清泥-3 2017-09-14 2017-09-23 17:22:40 by 清泥-3
[Gaussian] [已完结][关贴]吸收峰和实验值对不上 (1/456) 爱国者导弹 2017-09-21 2017-09-22 10:28:40 by ra2ghgzh
[Gaussian] 自旋极化和自旋多重度 (1/556) 无耻狡辩 2017-09-21 2017-09-21 09:30:08 by guchunsi
[Gaussian] [已完结][关贴]gaussview优化的配位键变成了共价键,怎么办 (2/610) 爱国者导弹 2017-09-20 2017-09-20 22:56:39 by houhou0123
[Gaussian] [已完结]出现l502错误,虫友提示了我很多种做法,我不是特别懂做法的含义,望大神指教,谢谢    ( 1 2 ) (10/2698) 791618275 2017-09-12 2017-09-20 09:40:35 by 791618275
[Gaussian] [已完结]高斯在计算时磁盘空间不够 (2/2051) y.q.liu 2016-05-24 2017-09-20 08:28:33 by y.q.liu
[Gaussian] [已完结]如果优化出来过渡态的能量比反应物低是否能确定没有过渡态? (6/2502) 791618275 2017-09-15 2017-09-19 15:19:42 by 791618275
[Gaussian] [已完结]求助 (2/878) 咿呀咿呀哟1 2017-09-17 2017-09-18 08:51:14 by 咿呀咿呀哟1
[Gaussian] [已完结][关贴]l601错误,希望大神能进来看看 (0/879) 791618275 2017-09-18 2017-09-18 08:22:28 by 791618275
[Gaussian] 求助 (0/344) 苏格拉没有地 2017-09-15 2017-09-15 19:39:04 by 苏格拉没有地
[Gaussian] [已完结]高斯里面怎么计算单质镍原子能量 (4/1539) 791618275 2017-05-05 2017-09-15 15:30:08 by 791618275
[Gaussian] [已完结]高斯默认溶剂 (4/1577) 青青子衿721 2017-09-12 2017-09-15 12:07:31 by 青青子衿721
[Gaussian] [已完结]qsub: No default queue specified MSG=cannot locate queue求助 (3/4836) yangxing0827 2017-09-12 2017-09-14 15:29:09 by lyl453433939
[Gaussian] [已完结]求助TD-DFT方法计算荧光吸收-发射光谱的整套方法? (4/1697) 咿呀咿呀哟1 2017-09-11 2017-09-14 10:03:06 by 咿呀咿呀哟1
[Gaussian] 高斯求教 (0/403) 薰衣草的希冀 2017-09-13 2017-09-13 14:35:41 by 薰衣草的希冀
[Gaussian] [已完结]求助高斯计算高手关于邻碳硼烷高斯输入文件 (5/897) wuxueyan 2015-10-30 2017-09-13 08:33:31 by wuxueyan
[Gaussian] [已完结]基态优化关键词int (4/563) 爱国者导弹 2017-09-11 2017-09-12 16:21:45 by 爱国者导弹
[Gaussian] [已完结]求个G09 D01或E01 win的版本 (0/521) 再靓二十年 2017-09-12 2017-09-12 10:46:32 by 再靓二十年
[Gaussian] 求一篇有描述苯的HOMO轨道的文献 (0/557) jiejie520520 2017-09-11 2017-09-11 09:09:17 by jiejie520520
[Gaussian] [已完结]请问在哪里可以找到苯的HOMO数值 (4/1105) jiejie520520 2017-09-10 2017-09-11 08:58:41 by jiejie520520
[Gaussian] [已完结]LUMO和HOMO值计算误差偏大 (8/2240) linan430316 2017-09-06 2017-09-11 08:47:42 by linan430316
[Gaussian] 【求助】请高手分析下高斯2070错误, (7/6918) 学员paSMd8 2010-05-24 2017-09-10 19:11:32 by 八戒救命
[Gaussian] [已完结]高斯几何优化报错2070 (3/1241) 八戒救命 2017-09-10 2017-09-10 18:50:01 by coordi2per
[Gaussian] 苯的前线轨道组成 (0/490) jiejie520520 2017-09-10 2017-09-10 17:07:27 by jiejie520520
[Gaussian] BH&HLYP这个泛函的关键词怎么写? (2/1288) 逆流的船123 2016-03-20 2017-09-09 16:46:16 by clvn
[Gaussian] [已完结][关贴]如何用gaussian软件计算分子的振动光谱? (8/3398) 埃菲尔great 2012-10-25 2017-09-09 13:50:30 by ABetaCare
[Gaussian] [已完结]gaussview上如何绘制镍钼以及相关氧化物的晶体构型 (1/492) 沈大大军 2017-09-08 2017-09-08 20:02:34 by lkk1213
[Gaussian] 发射光谱的计算方法    ( 1 2 3 ) (103/1153) 别傻了 2017-09-05 2017-09-08 18:00:01 by 苏格拉没有地
[Gaussian] [已完结]IRC追踪 (4/1081) CJ丫丫 2017-01-02 2017-09-08 17:08:48 by lkk1213
[Gaussian] [已完结]高斯算两个异构体,第二个能以第一个为基础吗? (0/285) peptide2882 2017-09-08 2017-09-08 11:51:19 by peptide2882
[Gaussian] Gaussian 09 help and IOP (英文版)    ( 1 2 3 ) (108/5397) sandf 2011-07-12 2017-09-07 20:18:06 by stoult
[Gaussian] [已完结]怎样建立点电荷嵌入簇模型的输入文件 (2/619) lixxxd 2013-11-14 2017-09-07 17:13:55 by lmhzhm
[Gaussian] [已完结]Gaussian Utilities中的Freqchk出错 (1/785) xyj880506 2014-08-06 2017-09-06 13:34:02 by houhou0123
[Gaussian] [已完结]用高斯view画对应异构体的问题 (2/2032) 小子阿良 2017-09-04 2017-09-05 15:30:45 by 小子阿良
[Gaussian] [已完结][关贴]结构优化出来加大机组后不收敛怎么办 (2/451) 791618275 2017-09-05 2017-09-05 09:17:50 by zhaohengxin
[Gaussian] 高斯求教 (0/307) 薰衣草的希冀 2017-09-04 2017-09-04 20:57:44 by 薰衣草的希冀
[Gaussian] [已完结]我只保留了guass的log文件,怎么看轨道图啊,必须要chk文件么? (6/1762) 791618275 2017-08-31 2017-09-04 15:56:08 by 791618275
[Gaussian] [已完结]gauss计算单点能L508出错 (3/3136) 风雨双龙山 2016-12-13 2017-09-03 07:36:05 by 791618275
[Gaussian] [已完结]求助 (0/303) 苏格拉没有地 2017-09-02 2017-09-02 15:55:24 by 苏格拉没有地
[Gaussian] [已完结]如何计算电子密度时得到APT的分布结果 (3/585) HPLC2008 2017-08-25 2017-09-02 12:28:42 by Jasminer
[Gaussian] [已完结]LUMO的能量可否为负值,有没有相关的文献支持?    ( 1 2 ) (15/1776) kathy2008 2012-12-10 2017-09-02 11:42:08 by 八月的雨季
[Gaussian] [已完结]测单个原子单点能时候输入文件 (0/274) 791618275 2017-09-01 2017-09-01 14:08:52 by 791618275
[Gaussian] [已完结]想计算氨基小分子在液相下的nbo电荷,没太懂液相怎么去写输入文件 (5/560) 过儿 2017-08-30 2017-08-31 18:51:45 by 闪思专业计算
[Gaussian] [已完结]GAUSSIAN (2/515) 苏格拉没有地 2017-08-30 2017-08-30 23:21:13 by Yan_Jordan
[Gaussian] 有关金属离子与有机配体的binding energy 计算 (3/790) biluuohu 2017-08-30 2017-08-30 13:05:58 by biluuohu
[Gaussian] [已完结]用Gaussianview做电子密度等值线图出错    ( 1 2 ) (13/1627) huangyahui 2017-08-14 2017-08-30 09:53:35 by huangyahui
[Gaussian] 请教:运行高斯时为何%mem设置值超过200MW就报错    ( 1 2 ) (17/2561) cns168 2017-08-16 2017-08-29 16:39:32 by 闪思专业计算
[Gaussian] [已完结]关于论文中gaussview 的引用说明问题 (8/3732) luojin7653 2012-07-20 2017-08-28 23:23:22 by lockey-s
[Gaussian] [已完结]高斯09的优化    ( 1 2 ) (11/3061) zhhgeren 2017-04-06 2017-08-28 16:44:12 by 闪思专业计算
[Gaussian] [已完结][关贴]M06L是哪种方法的关键词啊 (2/2295) 791618275 2017-08-25 2017-08-28 10:51:11 by 791618275
[Gaussian] [已完结][关贴]自旋多重度怎么计算? (4/1737) 爱国者导弹 2017-08-27 2017-08-28 09:18:39 by ra2ghgzh
[Gaussian] [已完结]关于小分子能量最低 最稳定构像的求解 (6/940) zhangchong12 2017-07-16 2017-08-27 08:07:25 by likun_2008
[Gaussian] [已完结][关贴]画图问题 (2/429) 爱国者导弹 2017-08-26 2017-08-27 08:04:07 by likun_2008
[Gaussian] 【讨论】CONFLEX构象搜索 (5/2221) 小鱼儿2008 2011-03-05 2017-08-26 13:27:58 by KIBPhyto
[Gaussian] [已完结]chk转换格式问题 (1/637) 爱国者导弹 2017-08-24 2017-08-25 08:39:40 by likun_2008
[Gaussian] [已完结]高斯中反应的活化熵的计算 (0/1057) dong5391 2017-08-24 2017-08-24 23:15:55 by dong5391
[Gaussian] [已完结]有小伙伴有用高斯或者orca4 计算分子势能面的代码么 (1/509) 顾跃凤 2017-04-26 2017-08-24 06:39:02 by lkk1213
[Gaussian] [已完结]GV画分子轨道出错 (9/1570) サクら 2016-11-22 2017-08-23 20:56:35 by dingweilu
[Gaussian] [已完结]关于BSSE能量矫正的详细处理过程 (1/1115) molx79 2015-05-06 2017-08-23 18:36:07 by sky诺烯
[Gaussian] [已完结]求过渡态,想用低精度的方法优化结构,高精度的方法计算能量该怎么输入? (8/1720) zhangzihang 2015-08-14 2017-08-23 18:33:51 by sky诺烯
[Gaussian] [已完结][关贴]gaussian09的utilityties在哪里?    ( 1 2 ) (12/966) 爱国者导弹 2017-08-22 2017-08-22 17:20:13 by likun_2008
[Gaussian] [已完结]怎么用高斯计算PES?关键词怎么设置?高斯小白求助 (2/718) 爱国者导弹 2017-08-18 2017-08-21 16:59:23 by notany
[Gaussian] [已完结]柔性扫描两个H2分子之间的势能曲线,该怎么写gauss配置文件? (7/2314) tahaomei 2014-07-09 2017-08-21 16:42:01 by 柒月小鱼
[Gaussian] [已完结]Gaussian D01做relaxed surface scan的一个问题,可能是bug (5/1399) lujunyan1118 2014-08-29 2017-08-20 17:59:23 by 柒月小鱼
[Gaussian] 关于溶剂化自由能问题 (2/1072) hakuna 2017-04-14 2017-08-20 10:18:53 by ecghyu241
[Gaussian] [已完结]请问 the effective zero-point averaged structure 是什么意思? (1/443) chuchu6816 2017-08-15 2017-08-19 23:09:10 by vvnjwq464
[Gaussian] [已完结]求助不同基组之间变换 (1/445) 亍寞 2015-07-27 2017-08-19 10:05:49 by qtpwrfs203
[Gaussian] 【求助】请各位大侠看看这个gaussian为啥不能运行    ( 1 2 ) (17/2766) 11shishui 2010-06-18 2017-08-11 11:30:52 by 1+1=10
[Gaussian] [已完结]高斯计算 (8/905) 胡婷婷@htt 2017-08-02 2017-08-11 08:11:30 by 胡婷婷@htt
[Gaussian] [已完结]transition density (TD) plots是怎么画出来的 (6/1285) lzhhz 2017-08-09 2017-08-10 16:16:04 by lzhhz
[Gaussian] [已完结]gauss服务器计算出现溢出,求助!! (3/902) xiao@chen 2011-11-05 2017-08-09 19:44:25 by paramecium86
[Gaussian] [已完结]求助高人指点,高斯错误代码L301是什么意思 (8/3668) Captain-Jack 2011-07-12 2017-08-07 10:26:41 by 小小渔yu
[Gaussian] [已完结]高斯软件能预测反应的进行吗? (5/1174) 梓柳黎swift 2017-08-06 2017-08-06 19:23:42 by 梓柳黎swift
[Gaussian] [已完结]求助如何使用混合基组 (3/1122) lithium_u 2017-08-03 2017-08-04 19:20:01 by lithium_u
[Gaussian] [已完结]ZINDO/S计算电子光谱 的命令行 如何填写 (0/422) wenxin98 2017-08-03 2017-08-03 19:58:14 by wenxin98
[Gaussian] [已完结][关贴]重金求linux系统gaussian09 D01 或以上版本,谢谢。 (0/578) wanlichuan 2017-08-03 2017-08-03 14:21:23 by wanlichuan
[Gaussian] [已完结]高斯优化分子固定问题 (7/1748) yeahhanpei 2017-08-02 2017-08-03 07:48:07 by 小范范1989
[Gaussian] [已完结]高斯03优化配合物构型时挂掉了,求各位大神指点迷津!:cry: (2/520) daiyongcheng 2017-08-02 2017-08-02 17:36:01 by 1234zou
[Gaussian] 【讨论】关于 gaussian 加电场 (3/1534) gjh123 2010-06-23 2017-08-02 13:56:00 by 严登鑫
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