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[热点] 博士延得我，科研能力直往上蹿 偏振片 2026-02-05 刚刚
[Gaussian] 来来来，大家一起做量化！    ( 1 2 3 4 5 ) (210/5226) 含能材料 2017-04-07 2017-04-19 06:19:00 by tigeryihu
[Gaussian] [已完结]求助 (0/305) keke2017 2017-04-18 2017-04-18 19:42:27 by keke2017
[Gaussian] [已完结]配合物的理论计算 (2/1232) xnfg007 2017-04-17 2017-04-18 16:14:33 by 含能材料
[Gaussian] [已完结]计算molecular dynamics (MD)时如何设置速度 (2/1063) lixiaona158 2014-03-11 2017-04-18 04:52:59 by liujodan
[Gaussian] gaussian计算非谐性出错Error: segmentation violation, (4/2442) xixi1007 2017-04-12 2017-04-17 20:27:08 by gengxin60
[Gaussian] [已完结]激发态求助 (4/644) 森森的脑海里 2017-04-16 2017-04-17 20:21:09 by 森森的脑海里
[Gaussian] [已完结]高斯计算中泛函的选择 (2/2991) _xuxia 2017-04-17 2017-04-17 19:52:05 by Yan_Jordan
[Gaussian] [已完结]请问，如下图中的电子密度转移图是怎么做出来的 (2/1074) yeahhanpei 2017-04-17 2017-04-17 14:39:53 by zhou2009
[Gaussian] 【求助】配合物磁性理论计算 (2/842) ydtangl 2011-03-05 2017-04-17 13:20:28 by ydtangl
[Gaussian] 用高斯能否区分竞争吸附和协同吸附？？？ (4/728) 半截烟洋洋 2013-07-07 2017-04-16 16:59:12 by 谢忆19950814
[Gaussian] [已完结]分子中N原子质子化后，偶极矩增大原因？ (0/619) 学员O9nP0G 2017-04-16 2017-04-16 16:08:34 by zww168
[Gaussian] [已完结]！！！ (2/538) Linda----Tu 2017-04-14 2017-04-16 08:58:54 by zhlee-ustc
[Gaussian] [已完结]关于用高斯软件计算间二甲苯的性质 (1/873) 默默耕耘 2017-04-15 2017-04-15 22:09:44 by scfslyzkf
[Gaussian] [已完结]gaussian计算过渡金属原子 (3/1636) 王巅王巅 2017-04-12 2017-04-15 07:36:11 by 王巅王巅
[Gaussian] [已完结]热力学校正的熵效应不准？要用气相电子能量？ (4/1087) haoguoyu 2017-04-07 2017-04-14 17:02:18 by 小磊磊爱无机
[Gaussian] [已完结]高斯计算中，B3lyp泛函和pbepbe泛函在分子计算中具体有哪些不同？ (0/1271) _xuxia 2017-04-14 2017-04-14 11:54:14 by _xuxia
[Gaussian] [已完结]gaussview的问题 (7/874) grayjzr 2017-04-13 2017-04-13 21:10:00 by grayjzr
[Gaussian] [已完结]入门学者、求Gaussian03 (2/658) 利剑刺向黑暗 2017-04-10 2017-04-13 19:38:41 by 玉=石头
[Gaussian] Gaussian 03分子中两个原子核振动可达到的最小距离是多少？ (0/253) 独孤立啊 2017-04-13 2017-04-13 19:13:46 by 独孤立啊
[Gaussian] [已完结]分子激发态，这个图代表什么意思？ (5/1345) 王巅王巅 2017-03-31 2017-04-13 18:01:09 by beefly
[Gaussian] [已完结]高斯优化过渡态 (1/749) liuhongfri 2017-04-12 2017-04-12 22:01:53 by 122ybb
[Gaussian] [已完结]新手金币不多 求助各位大哥大姐了 (2/269) 詹姆斯鸣人 2017-04-11 2017-04-12 13:53:21 by 詹姆斯鸣人
[Gaussian] 这有个GAUSSIAN C01的编译和测试的详细介绍 (1/487) hakuna 2017-04-04 2017-04-12 06:23:38 by qchem
[Gaussian] [已完结]卡在L906 (1/554) 含能材料 2017-04-11 2017-04-11 21:57:54 by Yan_Jordan
[Gaussian] 做反应机理的时候应该用哪个能量呢？ (0/458) 辉哥哥啊 2017-04-10 2017-04-10 15:29:31 by 辉哥哥啊
[Gaussian] [已完结]过渡态求助，欢迎大家提出宝贵的建议 (0/314) smilenfree 2017-04-10 2017-04-10 10:20:47 by smilenfree
[Gaussian] 请问如何计算分子的电子云分布？ (1/2307) 苏格拉底哲理 2017-04-09 2017-04-10 09:56:10 by 胖次超人
[Gaussian] [已完结]高斯计算分子的吸收光谱，S1的振子强度几乎为0，这是为什么 (2/980) meishensks 2017-04-07 2017-04-09 22:13:44 by meishensks
[Gaussian] 高斯计算IRC之后 (1/3615) chengzhiwen 2016-12-08 2017-04-09 17:52:56 by 亚亚留笔芯
[Gaussian] TD-DFT优化第一激发态结构时s1能量比s2能量高，结构却收敛了，请问什么情况这是？ (3/840) musterants 2017-04-05 2017-04-09 16:46:33 by nono2009
[Gaussian] [已完结]如何画分子的HOMO 和LUMO能级图    ( 1 2 ) (13/5636) 大家一起来 2013-10-31 2017-04-08 15:09:04 by zsdlovesky
[Gaussian] [已完结]高斯输入问题求解 (3/1122) crystal9420 2017-04-08 2017-04-08 12:43:33 by paramecium86
[Gaussian] [已完结]高斯，如何固定键角进行扫描 (1/4058) byyd 2017-04-08 2017-04-08 12:26:52 by paramecium86
[Gaussian] [已完结]这个反应常温下能否发生？ (3/803) hongsemenghuan 2015-07-04 2017-04-08 09:56:30 by jnmjnm
[Gaussian] [已完结]加入溶剂化效应的能垒如何计算？ (0/727) haoguoyu 2017-04-07 2017-04-07 23:17:02 by haoguoyu
[Gaussian] [已完结]关于broken symmetry DFT自旋污染误差分析，审稿人意见怎么回答 (0/642) haoguoyu 2017-04-07 2017-04-07 23:02:57 by haoguoyu
[Gaussian] [已完结]homo lomo (7/2343) 娜娜- 2017-04-07 2017-04-07 22:05:03 by 娜娜-
[Gaussian] [已完结]请问高斯软件怎么在XP系统下安装 (7/1538) 王柳叶 2014-02-21 2017-04-07 16:23:08 by 隐者412
[Gaussian] [已完结]高斯输入问题求解 (6/1165) Linda----Tu 2017-04-06 2017-04-07 13:14:59 by hfds496
[Gaussian] [已完结]求Gaussian 09 D.01    ( 1 2 ) (13/4159) tiancj 2013-11-12 2017-04-07 13:10:54 by wangcuncun
[Gaussian] [已完结]Mulliken charge analysis 求问高斯怎样画电荷分布图 (9/6583) damihu2011 2017-03-10 2017-04-07 09:08:00 by damihu2011
[Gaussian] [已完结]用高斯的ONIOM计算出现MM function not complete错误 (1/1750) Tonya_Tong 2017-03-14 2017-04-07 00:02:01 by ymy0664
[Gaussian] [已完结]BOMD里面phase如何设置计算的是reverse (2/503) lixiaona158 2014-07-03 2017-04-06 19:51:36 by zxy964777869
[Gaussian] [已完结]高斯能计算磁性吗？怎样编程啊？？？    ( 1 2 ) (10/2909) 雨蝶飛 2017-03-28 2017-04-06 18:22:07 by 雨蝶飛
[Gaussian] [已完结][关贴]关于高斯不能正常终止求助    ( 1 2 ) (17/2073) wittymadder 2017-04-02 2017-04-06 16:16:59 by wuy069
[Gaussian] [已完结]紧急求助，镧系元素Sm(钐)与Si(硅)元素如果组成团簇，为什么会比较弱。 (2/552) 0502114073 2015-01-08 2017-04-05 18:14:59 by 前田庆次
[Gaussian] [已完结]在对一个煤分子模型优化的过程中总是出现2070错误 (0/1407) 詹姆斯鸣人 2017-04-05 2017-04-05 17:24:39 by 詹姆斯鸣人
[Gaussian] [已完结]求助，做毕设一直出现这个问题，请问怎么解决啊 (7/681) stonell 2017-04-04 2017-04-05 09:39:40 by 122ybb
[Gaussian] [已完结]请问用高斯计算一个铵盐的解离能时出现错误怎么解决？ (4/1065) juneyu211 2017-03-31 2017-04-02 05:24:15 by tj8603
[Gaussian] [已完结]linux系统下，突然断电后如何让gaussian09接着计算？ (1/1401) xiaopiao012 2017-03-28 2017-04-01 08:57:17 by qchem
[Gaussian] [已完结]CCSD(T)单点计算疑问    ( 1 2 ) (10/2357) 雾溪之魅 2014-06-26 2017-03-30 09:34:09 by 搞科研的小蕾
[Gaussian] [已完结]限制性开壳层方法不能进行频率计算？ (4/1018) hzfish 2017-03-29 2017-03-30 09:18:18 by hzfish
[Gaussian] [已完结]如何用Gaussian 09计算双光子紫外吸收 (1/769) 浩卯 2017-03-29 2017-03-30 08:15:18 by 小范范1989
[Gaussian] 如何用DFT计算极性分子/铁磁性分子的双折射率？ (6/741) 莫痕8 2016-07-12 2017-03-30 07:32:31 by KaiLiW
[Gaussian] [已完结]怎样用gaussian计算单线态双自由基的能量和结构？ (9/1949) hongsemenghuan 2015-06-16 2017-03-30 06:54:34 by qingqing丶
[Gaussian] 高斯总是不能正常终止啊 (18/1750) wittymadder 2017-03-29 2017-03-30 00:41:15 by Yan_Jordan
[Gaussian] [已完结]计算一个体系，总提示输入行语法错误呢    ( 1 2 ) (13/1525) iacwj03 2017-03-27 2017-03-29 22:21:51 by zwtfire
[Gaussian] [已完结]新手求助（一点不懂的小白） (0/446) 就要往死学 2017-03-29 2017-03-29 22:20:56 by 就要往死学
[Gaussian] [已完结]如何用gaussianview构造异构体 (2/451) 詹姆斯鸣人 2017-03-29 2017-03-29 16:34:43 by 詹姆斯鸣人
[Gaussian] [已完结]高斯求助 (5/1171) yrjing1224 2017-03-19 2017-03-28 12:32:58 by yrjing1224
[Gaussian] [已完结]优化杂三蝶烯，确定不了基组？ (8/1193) byyd 2017-03-24 2017-03-28 08:48:07 by byyd
[Gaussian] [已完结]求助Freq计算到一半就突然断掉    ( 1 2 ) (14/1863) yyao_1314 2017-03-06 2017-03-28 08:28:56 by yyao_1314
[Gaussian] [已完结]如何计算内嵌富勒烯的优化的能级结构 (1/669) zhaoxm0821 2016-11-11 2017-03-28 08:11:51 by 蓝星灵
[Gaussian] [已完结]关于过渡态TS读取频率问题 (4/970) rainyxiao 2014-05-18 2017-03-28 07:07:26 by 简简，单单
[Gaussian] [已完结]悬赏1500金币计算两个化合物的HOMO和LUMO    ( 1 2 ) (15/1340) wy19871124 2017-03-24 2017-03-27 17:12:02 by yyao_1314
[Gaussian] [已完结]计算初学者向各位求助 (5/1249) 青青子衿721 2017-03-24 2017-03-27 10:12:02 by 青青子衿721
[Gaussian] [已完结][关贴]求助G3large自定义基组 (4/696) sophia26 2017-03-23 2017-03-25 16:22:21 by sophia26
[Gaussian] [已完结]GAUSSIAN计算发现的异常现象 (0/351) 2011tju 2017-03-25 2017-03-25 01:01:02 by 2011tju
[Gaussian] [已完结]Gaussian初始结构查找 (1/663) yinjuanchen 2017-03-23 2017-03-24 09:25:02 by ra2ghgzh
[Gaussian] [已完结]求0K下到298K下的温度校正项 (1/828) yangjing4869 2014-11-07 2017-03-23 12:28:43 by 渔将
[Gaussian] [已完结]计算垂直电离势的离子的多重度选择问题 (1/550) skywyy2011 2013-09-04 2017-03-23 07:54:06 by 记忆中的红罂
[Gaussian] [已完结]高斯里gjf坐标有问题，求大神帮忙 (4/697) 胡婷婷@htt 2017-03-14 2017-03-22 18:12:59 by 胡婷婷@htt
[Gaussian] [已完结][关贴]Gaussview自定义原子编号 (1/7898) 水合二氧化硅 2017-03-22 2017-03-22 09:39:21 by ra2ghgzh
[Gaussian] [已完结]文件转化 (3/715) 一池紫罗兰 2017-03-22 2017-03-22 08:45:00 by 一池紫罗兰
[Gaussian] GaussView打开fchk文件 (4/2344) 邙山的鱼 2017-03-13 2017-03-20 21:25:09 by Yan_Jordan
[Gaussian] [已完结]G2算单点能总是莫名就断了，不知是否是体系过大，，求助、、求助、、望解答    ( 1 2 ) (12/1186) 紫薇愿 2017-03-16 2017-03-20 16:52:11 by qchem
[Gaussian] [已完结]环氧丙烷 (6/909) weitao2016 2017-03-17 2017-03-20 08:03:41 by Amittai
[Gaussian] [已完结]高斯优化特定键长 (0/1017) champion10 2017-03-19 2017-03-19 14:36:21 by champion10
[Gaussian] 看过来 (11/812) Linda----Tu 2017-03-18 2017-03-19 10:24:56 by Linda----Tu
[Gaussian] [已完结]理论计算审稿意见 (5/951) xmclove 2017-03-17 2017-03-18 11:38:42 by wenbin2012
[Gaussian] [已完结]使用中科院的国家计算网格算优化分子时总是莫名其妙的断开 (1/677) czg辽宁石化 2017-03-15 2017-03-17 21:07:17 by mishanlhb
[Gaussian] [已完结]what is the origin for the permanent dipole moments? (1/345) kent1022 2017-03-16 2017-03-17 14:59:53 by ra2ghgzh
[Gaussian] [已完结]过渡态求助    ( 1 2 ) (11/1057) smilenfree 2017-03-13 2017-03-17 09:42:45 by ZZU2011
[Gaussian] LUMO为负值(Nature Photonics)    ( 1 2 3 ) (23/2840) zhurl123 2012-08-06 2017-03-16 19:40:27 by daixiujuan52
[Gaussian] [已完结]材料计算研究生毕业 (6/1039) 2016Here 2017-03-15 2017-03-15 23:47:34 by 2016Here
[Gaussian] [已完结]command not found (0/263) 萨沐特 2017-03-15 2017-03-15 21:03:46 by 萨沐特
[Gaussian] [已完结]请问溶液中的nmr化学位移如何计算 (1/465) yezi356123 2017-03-15 2017-03-15 17:06:39 by yezi356123
[Gaussian] [已完结]高斯计算吸收谱L914报错 (2/1137) cjhztt 2011-11-02 2017-03-14 19:48:57 by paramecium86
[Gaussian] [已完结]计算化学 (0/347) zhuxuanli 2017-03-14 2017-03-14 16:48:54 by zhuxuanli
[Gaussian] [已完结]求助作图 (3/651) keke2017 2017-03-13 2017-03-14 14:50:50 by ra2ghgzh
[Gaussian] [已完结]Gaussian计算两种分子间的作用力 (2/2012) 冯艺荣 2017-03-13 2017-03-14 10:44:57 by 冯艺荣
[Gaussian] 结构搜寻的小程序与大家分享[V0.4]    ( 1 2 ) (69/4022) emc2 2011-11-08 2017-03-14 05:53:20 by lisu555
[Gaussian] [已完结]优化出错！ (5/3749) pxhl 2016-04-05 2017-03-13 18:21:20 by paramecium86
[Gaussian] [已完结]求助gauss大神 (0/276) 慕风~ 2017-03-13 2017-03-13 11:33:07 by 慕风~
[Gaussian] [已完结]第四周期的钙离子需要使用赝势吗？ (4/1026) Tonya_Tong 2017-03-10 2017-03-13 09:56:57 by Tonya_Tong
[Gaussian] [已完结]出现l301错误，请哪位大神指教，我是高斯初学者，是一个菜鸟 (2/1599) 6236yue 2017-03-12 2017-03-12 19:57:39 by 6236yue
[Gaussian] 关于寻找过渡态 (1/560) wittymadder 2017-03-09 2017-03-12 14:48:43 by yongleli
[Gaussian] [已完结]荧光探针小分子与金属络合 (3/1132) 54小城 2017-03-12 2017-03-12 14:47:11 by yongleli
[Gaussian] [已完结]高斯l9999错误 (0/1506) mercury13100 2017-03-11 2017-03-11 11:53:59 by mercury13100
[Gaussian] Scan (5/614) sky诺烯 2017-03-10 2017-03-10 18:07:30 by aygxyAY
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