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[热点] 2024 - Redox‐Active Ligands asymmsyn 2026-02-05 刚刚
[Gaussian] [已完结]弥散系数 (0/450) njtu113 2017-03-09 2017-03-09 23:21:01 by njtu113
[Gaussian] [已完结]求助画图 (2/568) keke2017 2017-03-08 2017-03-09 15:27:41 by yongleli
[Gaussian] [已完结]高斯软件新手～关于输出文件结果求助 (4/1652) wittymadder 2017-03-01 2017-03-08 23:23:44 by Joey钟
[Gaussian] 请教如何用Gaussian 09 计算化合物的密度，本人菜鸟刚接触Gaussian (3/962) zgd194103 2017-03-03 2017-03-08 21:15:21 by nono2009
[Gaussian] [已完结]opt+freq遇到问题 (1/785) 过路人AT 2017-03-07 2017-03-07 23:27:25 by 含能材料
[Gaussian] [已完结]求物质的生成热 (0/344) loveoldlife 2017-03-07 2017-03-07 23:13:47 by loveoldlife
[Gaussian] 高斯计算激发态老是出现“Internal input file was deleted!“错误。 (1/3626) 悦紫123 2016-12-13 2017-03-07 12:24:58 by FMStation
[Gaussian] 用scf=qc收敛后的结果与直接scf收敛后的结果差距大吗 (0/771) zhy嘿哈 2017-03-07 2017-03-07 11:27:09 by zhy嘿哈
[Gaussian] 【求助】请教大家一个问题，关于反铁磁耦合的 (14/2266) wushidi 2011-03-30 2017-03-06 18:29:13 by 彩虹棉花糖
[Gaussian] 大分子计算 (11/1673) 748128631 2017-03-05 2017-03-05 14:23:31 by qchem
[Gaussian] [已完结]高斯软件操作问题，请各位老师指教一下。 (0/549) 套马杆的汉子 2017-03-05 2017-03-05 11:10:10 by 套马杆的汉子
[Gaussian] [已完结]密度泛函理论和含时密度泛函理论 (2/3205) keke2017 2017-03-02 2017-03-04 22:46:10 by keke2017
[Gaussian] [已完结]G09集群计算结果的chk文件转换问题 (7/3349) rainandstar 2011-09-02 2017-03-04 20:27:46 by C-Young
[Gaussian] [已完结]请问高斯09 开壳/闭壳，限制/非限制的含义及如何选择？    ( 1 2 ) (11/4633) C-Young 2017-03-03 2017-03-04 15:30:08 by C-Young
[Gaussian] 小弟想学习一下gaussian，请问哪里有培训班    ( 1 2 ) (16/2231) lastzealot 2014-11-25 2017-03-04 07:02:38 by yicong2010
[Gaussian] [已完结]断键生成自由基反应的过渡态寻找问题 (1/1272) 阳明93 2016-11-13 2017-03-03 18:52:48 by clvn
[Gaussian] [已完结]运行中出现：PCMFIO:OBJECT CTs is empty! 不知何意？ (0/734) yqiusheng 2017-03-02 2017-03-02 23:02:57 by yqiusheng
[Gaussian] [已完结]计算ORD数据大于360正常不？ (2/348) qchem 2016-12-25 2017-03-02 19:21:29 by qchem
[Gaussian] [已完结]有偿代做分子结构优化及计算LUMO和HOMO    ( 1 2 ) (11/1532) xmclove 2016-06-10 2017-03-01 21:15:54 by 含能材料
[Gaussian] [已完结]高斯计算分子HOMO-LOMO能级 (评阅+5) (2/1989) 冬天来了 2017-02-28 2017-03-01 18:20:08 by 含能材料
[Gaussian] [已完结]非化学专业做过度态现实吗 (2/327) xsw1DQK4Z367 2016-12-27 2017-03-01 08:14:30 by xsw1DQK4Z367
[Gaussian] [已完结]irc出问题    ( 1 2 ) (11/1599) 彼岸百合花开 2017-02-26 2017-02-27 20:34:16 by 神奇的小庚庚
[Gaussian] [已完结]guassian09的安装包 (0/1013) 小木鱼石头 2017-02-27 2017-02-27 19:05:52 by 小木鱼石头
[Gaussian] [已完结]二维势能扫描求助，错误2070，求大神指导，输入文件错误在哪里！急 (2/484) 可乐铃铛 2017-02-26 2017-02-27 16:19:57 by likun_2008
[Gaussian] [已完结]寻找吸附位，求指导，新手金币不多，见谅。。 (5/762) 1239450221 2017-02-25 2017-02-27 12:41:43 by 极乐禅宗
[Gaussian] [已完结]过渡金属元素SDD基组的f极化函数 (1/932) 极乐禅宗 2017-02-22 2017-02-27 12:31:58 by 极乐禅宗
[Gaussian] [已完结]化合物配体和金属均为变价，中心原子化合价的确定计算？ (2/1491) 122ybb 2017-02-23 2017-02-27 11:50:26 by 122ybb
[Gaussian] [已完结]怎么在高斯中加10KV/mm的电场 (0/845) czg辽宁石化 2017-02-26 2017-02-26 18:15:56 by czg辽宁石化
[Gaussian] [已完结]新手求助，高斯做扫描时只进行结构优化，不扫描，不知道错在哪里。 (2/920) 佳馨221 2017-02-24 2017-02-25 09:59:50 by 佳馨221
[Gaussian] 请问大家使用什么版本的guassian和什么系统的？ (9/1321) jinbei 2015-12-22 2017-02-25 06:18:30 by yyao_1314
[Gaussian] [已完结]如何怎么用计算excitation contribution？ (1/522) 狼行天下wolf 2017-02-23 2017-02-23 13:09:22 by scfslyzkf
[Gaussian] [已完结]新手提问，关于HOMO,LUMO计算 (0/971) 赵xiao 2017-02-22 2017-02-22 23:38:34 by 赵xiao
[Gaussian] [已完结]下图的分子轨道图如何用高斯view做 (4/2671) mercury13100 2017-02-21 2017-02-22 15:46:21 by mercury13100
[Gaussian] [已完结]help (3/430) 李俊波 2017-02-20 2017-02-22 12:27:25 by 含能材料
[Gaussian] [已完结]关于四极矩和极化率问题 (4/1792) 行不彳亍 2012-12-12 2017-02-21 15:29:16 by fang0411
[Gaussian] [已完结]求助gaussian09E01安装 (2/1518) gauss98 2017-02-17 2017-02-20 09:51:23 by paramecium86
[Gaussian] 科研交友 (3/644) 彩虹棉花糖 2017-02-19 2017-02-20 08:42:16 by 彩虹棉花糖
[Gaussian] [已完结][关贴]可以用HOMO和LUMO描述电离位置的起始点或者概率 (1/343) wy19871124 2017-02-18 2017-02-19 12:52:54 by wbf3ng
[Gaussian] gaussian09提交做了报错 (1/3060) 拿铁不加糖 2017-02-18 2017-02-19 12:50:46 by wbf3ng
[Gaussian] [已完结]高斯输入文件运行的时候报错， Unrecognized potential number 6 in GetPot (2/7138) crc152 2017-02-18 2017-02-18 22:23:12 by crc152
[Gaussian] [已完结]Gaussian计算计算垂直过渡和振荡因子 (9/1294) shchenshuang 2017-02-11 2017-02-16 23:22:21 by shchenshuang
[Gaussian] 分子优化放到服务器上计算，到出现坐标就停了怎么回事 (1/452) crooked17 2017-02-16 2017-02-16 16:49:57 by zhou2009
[Gaussian] [已完结]DFT优化构型时能否设置温度和压力？ (3/1959) 挚爱紫金 2017-02-14 2017-02-16 16:18:31 by tjfwg
[Gaussian] [已完结]Gaussian的IRC计算如何在GView中编写？ (7/2280) 涵源亦可 2017-01-12 2017-02-15 10:10:16 by 涵源亦可
[Gaussian] [已完结]文献中关于基组的疑问。 (1/555) xiayu1985 2017-02-13 2017-02-15 07:44:01 by hopedream
[Gaussian] 过渡态搜索中反应物相关问题 (11/2204) wangyoucheng 2012-03-14 2017-02-15 07:34:09 by hopedream
[Gaussian] [已完结]荧光计算 (1/541) 我的愿望精灵 2016-01-24 2017-02-15 07:13:26 by wirener
[Gaussian] [已完结]怎样通过光谱判断两个反应谁更好？ (0/234) 过节费发放 2017-02-14 2017-02-14 18:02:49 by 过节费发放
[Gaussian] [已完结]优化聚合物结构时出错Total charge is not ZERO (0/782) ra2ghgzh 2017-02-14 2017-02-14 16:57:46 by ra2ghgzh
[Gaussian] [已完结]求助优化有机小分子最优构象 (4/994) xmclove 2017-01-02 2017-02-14 16:27:49 by xmclove
[Gaussian] [已完结]关于分压 (2/452) 计算化学新人 2017-02-11 2017-02-13 08:47:54 by 计算化学新人
[Gaussian] [已完结]很郁闷不知道TD错在哪 (2/953) aioroslove 2014-05-26 2017-02-12 19:00:34 by wangf44
[Gaussian] [已完结]gaussian计算过渡态的原理是怎么样的？ (0/669) xiayu1985 2017-02-11 2017-02-11 13:36:33 by xiayu1985
[Gaussian] [已完结]使用高斯优化分子时，为什么一般先使用6-31G(d)再进一步使用6-311++G(d,p)？？？ (1/3499) guodianzhu 2017-02-04 2017-02-09 23:09:01 by 含能材料
[Gaussian] [已完结]溶剂化求助 (0/201) yrjing1224 2017-02-08 2017-02-08 11:22:59 by yrjing1224
[Gaussian] [已完结]用gaussian计算NMR，如何处理氢谱（同一个甲基的三个氢位移都不一样） (3/1194) fogmoon 2017-01-24 2017-02-08 11:00:50 by fogmoon
[Gaussian] [已完结]求高人指点如何用casscf计算自旋轨道耦合 (1/959) hanchunmia 2017-02-06 2017-02-06 16:41:18 by beefly
[Gaussian] [已完结]Gaussian算不了，求助！ (3/939) 水上漂0 2017-01-15 2017-02-05 09:04:12 by 水上漂0
[Gaussian] [已完结]IRC+genecp出错，请指教 (2/761) 313588908 2017-02-03 2017-02-04 00:04:44 by 313588908
[Gaussian] [已完结]新手求助 关于gaussian优化遇到的问题 (2/964) 过路人AT 2017-02-01 2017-02-03 08:56:09 by 过路人AT
[Gaussian] 溶剂模型的优化和频率分析 (0/231) 请叫我呼呼呼 2017-01-31 2017-01-31 21:36:52 by 请叫我呼呼呼
[Gaussian] [已完结][关贴]过渡优化报错 (0/505) hopedream 2017-01-31 2017-01-31 18:48:24 by hopedream
[Gaussian] [已完结]关于电子态的表示 (1/1439) lastzealot 2017-01-15 2017-01-30 19:09:30 by lastzealot
[Gaussian] [已完结]请各位大侠帮忙 (2/320) liujkbenben 2017-01-29 2017-01-29 13:44:01 by 978142355
[Gaussian] [已完结][关贴]the nuclear gyromagnetic ratio在log文件哪里找到啊 (1/300) hopedream 2017-01-23 2017-01-29 13:31:20 by yywanse
[Gaussian] [已完结]溶剂化使用额外溶剂时的关键词怎么写 (2/764) 313588908 2017-01-24 2017-01-24 16:10:26 by 313588908
[Gaussian] [已完结]如果用gaussian搞有机化学反应机理的计算需要看哪些书? (4/764) xiayu1985 2017-01-14 2017-01-23 22:14:02 by xiayu1985
[Gaussian] [已完结]求助电子云密度的计算问题 (0/2309) wandong8994 2017-01-23 2017-01-23 17:55:02 by wandong8994
[Gaussian] casscf的活性轨道问题。 (0/920) tumitumi123 2017-01-21 2017-01-21 14:13:58 by tumitumi123
[Gaussian] [已完结]对于分解反应的过渡态搜寻，gaussian如何优化产物呢？ (3/1102) 涵源亦可 2017-01-12 2017-01-19 17:05:57 by hopedream
[Gaussian] [已完结]Gaussian利用surface action画出来的MO轨道图是什么意思？ (3/1287) 独孤立啊 2017-01-17 2017-01-18 12:39:33 by kyuu
[Gaussian] [已完结]请问下这个电脑配置能否用Gaussian09做几何优化和电子分布？ (2/1517) IRIS999 2017-01-17 2017-01-18 10:06:55 by IRIS999
[Gaussian] [已完结][关贴]请教关于激发态的问题 (0/332) lastzealot 2017-01-17 2017-01-17 22:51:30 by lastzealot
[Gaussian] [已完结]求助：寻找DME与O2反应的过渡态 (9/1300) 明8221 2016-12-28 2017-01-17 16:20:55 by 明8221
[Gaussian] [已完结]gausssian优化结构时出现错误 (2/813) 过路人AT 2017-01-16 2017-01-17 11:25:26 by 过路人AT
[Gaussian] [已完结]Gaussian输入命令求助 (2/761) 牙吐丝丝 2017-01-14 2017-01-16 21:59:29 by 牙吐丝丝
[Gaussian] [已完结]如何add scan coordinate using Redundant Coord Editor？ (3/3753) 涵源亦可 2017-01-13 2017-01-16 10:01:26 by 涵源亦可
[Gaussian] [已完结]量子化学计算，求助 (1/348) 小草哥 2017-01-15 2017-01-16 08:22:30 by qchem
[Gaussian] [已完结]Guass View里调节HOMO、LUMO 的电子云颜色 (2/3969) 糖蜜蜜 2017-01-09 2017-01-14 21:37:04 by 糖蜜蜜
[Gaussian] [已完结]求助：关于Gaussian09 chk文件的问题 (2/1501) 2011tju 2017-01-14 2017-01-14 09:06:59 by 2011tju
[Gaussian] 【求助】基态构型优化出现错误。 (7/3660) phoenixydp 2010-09-25 2017-01-13 16:51:46 by zhy嘿哈
[Gaussian] [已完结]关于电子脱附能的问题 (2/2188) lastzealot 2017-01-12 2017-01-13 09:37:57 by lastzealot
[Gaussian] [已完结]分子的多重度问题 (2/1413) hsleekang 2017-01-11 2017-01-12 11:12:14 by hsleekang
[Gaussian] [已完结][关贴]做CISD计算后如何在结果里看波函数的组态展开系数 (1/382) 小磊磊爱无机 2016-12-27 2017-01-10 15:57:56 by 小磊磊爱无机
[Gaussian] [已完结]高斯画结构计算，表示化学键时，什么时候用虚线，什么时候用实线？    ( 1 2 ) (10/4699) guodianzhu 2016-11-17 2017-01-09 22:19:18 by wbf3ng
[Gaussian] [已完结]用cis优化激发态的键长等数据 (0/300) icewater 2017-01-07 2017-01-07 20:00:21 by icewater
[Gaussian] [已完结]请大神推荐与量子化学，计算化学有关的书籍 (1/1312) 梦茜LI 2017-01-05 2017-01-07 15:55:32 by 7152075
[Gaussian] [已完结]g03计算一直出错，求大神帮忙看看什么问题 (评阅+5) (1/290) 丁睿123 2017-01-05 2017-01-07 15:48:36 by 7152075
[Gaussian] 有谁知道Vincenzo Barone最早描述非谐性选模计算的文章是那篇啊 (0/216) xixi1007 2017-01-06 2017-01-06 11:25:44 by xixi1007
[Gaussian] [已完结]被高斯快整疯了，求高手指教。    ( 1 2 ) (12/2525) 小小手掌 2016-12-29 2017-01-06 00:38:12 by loveme
[Gaussian] [已完结]过渡态在服务器计算不了 (6/1486) guodianzhu 2016-11-17 2017-01-05 08:21:57 by NSC2010
[Gaussian] [已完结]分子的切面如何表示 (0/263) hopedream 2017-01-03 2017-01-03 18:09:06 by hopedream
[Gaussian] 高斯怎么续跑？ (1/2293) elerun 2017-01-03 2017-01-03 16:54:57 by 小范范1989
[Gaussian] [已完结]天河上大分子频率分析总是被停掉    ( 1 2 ) (10/1795) crystalzjy 2013-07-31 2017-01-03 11:45:00 by yywanse
[Gaussian] [已完结]gaussian09 (1/553) TYY994 2016-12-09 2017-01-03 11:43:00 by 王屋山下
[Gaussian] [已完结]金属配合物结构问题    ( 1 2 ) (14/2843) pengzhang1 2011-11-01 2017-01-02 07:40:38 by 茄子MM
[Gaussian] [已完结]求助 (2/460) 新冯先生 2016-12-30 2016-12-31 18:52:07 by 新冯先生
[Gaussian] [已完结]高斯文件文件格式 (3/2796) 梦茜LI 2016-12-29 2016-12-31 10:44:52 by 梦茜LI
[Gaussian] [已完结]用高斯的ADMP 跑分子动力学出错~ (6/1809) yebin2006 2013-11-02 2016-12-29 21:41:23 by 杨小狗
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