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[热点] 2025冷门绝学什么时候出结果 zixuanyu 2025-12-06 刚刚
[Gamess/ ] [已完结]新手求助使用gamess做初猜 (4/809) cherish萌儿 2017-04-10 2017-04-13 08:35:06 by paramecium86
[Gaussian] [已完结]高斯优化过渡态 (1/715) 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 (2/249) 詹姆斯鸣人 2017-04-11 2017-04-12 13:53:21 by 詹姆斯鸣人
[Gaussian] [已完结]卡在L906 (1/540) 含能材料 2017-04-11 2017-04-11 21:57:54 by Yan_Jordan
[其他] [已完结]求经典最小二乘法(CLS)matlab程序代码 (1/1202) Lily621 2017-04-10 2017-04-10 15:01:09 by Lily621
[Gaussian] [已完结]过渡态求助,欢迎大家提出宝贵的建议 (0/303) smilenfree 2017-04-10 2017-04-10 10:20:47 by smilenfree
[量化图形 ] [已完结]split_dos分割DOSCAR (3/1792) 小韧1 2016-07-11 2017-04-10 07:29:09 by 峰哥在北京
[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 (2/945) meishensks 2017-04-07 2017-04-09 22:13:44 by meishensks
[NBO/AIM] [已完结]绘制NBO轨道 (5/1441) lxk875934997 2015-04-14 2017-04-09 18:13:28 by 娜娜-
[Gaussian] [已完结]如何画分子的HOMO 和LUMO能级图    ( 1 2 ) (13/5482) 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 (3/1068) 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 (1/4035) 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? (3/750) 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? (0/718) 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 (0/626) haoguoyu 2017-04-07 2017-04-07 23:02:57 by haoguoyu
[Gaussian] [已完结]homo lomo (7/2287) 娜娜- 2017-04-07 2017-04-07 22:05:03 by 娜娜-
[量化图形 ] [已完结]求助各位大神 (1/347) 詹姆斯鸣人 2017-04-07 2017-04-07 20:29:09 by 122ybb
[ADF/Dal ] [已完结]请教如何计算催化反应的能量差? (0/514) hanni1980 2017-04-07 2017-04-07 16:48:55 by hanni1980
[Gaussian] [已完结]请问高斯软件怎么在XP系统下安装 (7/1377) 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 (6/1125) Linda----Tu 2017-04-06 2017-04-07 13:14:59 by hfds496
[Gaussian] [已完结]求Gaussian 09 D.01    ( 1 2 ) (13/4027) 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 (9/6499) 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 (1/1727) 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 (2/478) lixiaona158 2014-07-03 2017-04-06 19:51:36 by zxy964777869
[量化新手 ] [已完结]ubuntu下cshell的文件名自动补全 (1/1210) luqing6879 2017-04-06 2017-04-06 18:48:29 by luqing6879
[Gaussian] [已完结]高斯能计算磁性吗?怎样编程啊???    ( 1 2 ) (10/2814) 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 ) (17/1960) 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。 (2/505) 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 (0/1385) 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 (7/616) stonell 2017-04-04 2017-04-05 09:39:40 by 122ybb
[量化新手 ] [已完结]请问谁做过EPR? (2/508) 小小渔yu 2017-04-03 2017-04-04 20:46:20 by 小小渔yu
[其他] [已完结]求问怎么计算某个离子或分子的直径大小? (0/434) levi's 2017-04-03 2017-04-03 16:20:47 by levi's
[已完结]求助,泛函对梯度的展开式是什么? (0/1045) kkwangkai 2017-04-03 2017-04-03 10:18:51 by kkwangkai
[已完结]老师,您好,有机材料电致发光,延迟荧光方面,那个s1与t1之... (0/776) 魏远飞 2017-04-02 2017-04-02 09:41:56 by 魏远飞
[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? (4/1015) juneyu211 2017-03-31 2017-04-02 05:24:15 by tj8603
[量化新手 ] [已完结]做硝化反应的过渡态。。。怎么以原子间的距离为反应坐标? (2/532) 18235149572 2017-03-31 2017-04-01 16:11:33 by 18235149572
[Gaussian] [已完结]linux系统下,突然断电后如何让gaussian09接着计算? (1/1383) xiaopiao012 2017-03-28 2017-04-01 08:57:17 by qchem
[Linux应 ] [已完结]求助polyrate安装运行问题 (1/1658) hunter_chen 2014-06-01 2017-03-31 06:58:59 by 安妮的熊爸爸
[NBO/AIM] [已完结]Mayer键级和韦伯键级的区别 (5/3643) 王丫丫8289 2017-03-29 2017-03-30 18:44:18 by beefly
[已完结]Hohenberg, P. and Kohn, W. (19... (0/305) kkwangkai 2017-03-30 2017-03-30 17:09:38 by kkwangkai
[其他] [已完结]Mn掺杂ZnS量子点的磷光和荧光? (3/738) 风过泪无痕 2015-01-09 2017-03-30 11:14:21 by rosemary-yue
[Gaussian] [已完结]CCSD(T)单点计算疑问    ( 1 2 ) (10/2245) 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? (4/966) 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 (1/740) 浩卯 2017-03-29 2017-03-30 08:15:18 by 小范范1989
[Gaussian] [已完结]怎样用gaussian计算单线态双自由基的能量和结构? (9/1850) hongsemenghuan 2015-06-16 2017-03-30 06:54:34 by qingqing丶
[Gaussian] [已完结]计算一个体系,总提示输入行语法错误呢    ( 1 2 ) (13/1447) 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) (0/437) 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 (2/419) 詹姆斯鸣人 2017-03-29 2017-03-29 16:34:43 by 詹姆斯鸣人
[文章故事] [已完结]入门救助 (2/695) 281341617 2016-12-02 2017-03-28 20:50:24 by 萨沐特
[其他] [已完结][关贴]求关于硼氢团簇的综述 (0/222) 敏zxm 2017-03-28 2017-03-28 17:03:40 by 敏zxm
[Gaussian] [已完结]高斯求助 (5/1128) yrjing1224 2017-03-19 2017-03-28 12:32:58 by yrjing1224
[已完结]您好 请问 GaussView4.1.2图片怎样导出到W... (1/4081) 浅遇 2017-03-27 2017-03-28 11:08:38 by 122ybb
[Gaussian] [已完结]优化杂三蝶烯,确定不了基组? (8/1126) 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 ) (14/1758) 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 (1/635) 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 (4/904) rainyxiao 2014-05-18 2017-03-28 07:07:26 by 简简,单单
[量化新手 ] [已完结]如何计算一种物质的标准生成热及自由能, (4/1784) 瘦男人 2016-11-09 2017-03-27 21:24:49 by caoeagle0122
[Gaussian] [已完结]悬赏1500金币计算两个化合物的HOMO和LUMO    ( 1 2 ) (15/1271) 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 (5/1212) 青青子衿721 2017-03-24 2017-03-27 10:12:02 by 青青子衿721
[量化新手 ] [已完结]VASP 教程 求助 (0/700) 厦大飞星 2017-03-26 2017-03-26 21:43:33 by 厦大飞星
[其他] [已完结]ipsocentric approach是什么方法 (0/407) 红叶cq 2017-03-25 2017-03-25 18:09:32 by 红叶cq
[Gaussian] [已完结][关贴]求助G3large自定义基组 (4/657) sophia26 2017-03-23 2017-03-25 16:22:21 by sophia26
[其他] [已完结]怎么理解原子轨道的电子云角度分布图? (4/4207) xuemeng111 2013-03-09 2017-03-25 14:32:32 by 18382231045
[已完结]第一次接触高斯软件,欲求怎样利用高斯软件寻找某分子的异构化过... (0/380) 浅遇 2017-03-25 2017-03-25 12:37:05 by 浅遇
[Gaussian] [已完结]GAUSSIAN计算发现的异常现象 (0/330) 2011tju 2017-03-25 2017-03-25 01:01:02 by 2011tju
[量化新手 ] [已完结][关贴]求助有关priroda程序过渡态相关问题 (4/1025) HD郑明 2017-03-21 2017-03-24 13:58:15 by HD郑明
[其他] [已完结]求国内做核磁计算方面的同行 (1/534) lamda 2017-03-24 2017-03-24 10:11:15 by czyzsu
[Gaussian] [已完结]Gaussian初始结构查找 (1/637) yinjuanchen 2017-03-23 2017-03-24 09:25:02 by ra2ghgzh
[量化新手 ] [已完结]ISCD数据库 (7/3946) yayadidi 2017-03-22 2017-03-23 15:10:09 by yayadidi
[Gaussian] [已完结]求0K下到298K下的温度校正项 (1/796) 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 (1/533) skywyy2011 2013-09-04 2017-03-23 07:54:06 by 记忆中的红罂
[已完结]请问怎么用MS软件对多孔材料的孔径大小进行计算,谢谢 (0/896) 1527342631 2017-03-22 2017-03-22 21:26:41 by 1527342631
[Gaussian] [已完结]高斯里gjf坐标有问题,求大神帮忙 (4/664) 胡婷婷@htt 2017-03-14 2017-03-22 18:12:59 by 胡婷婷@htt
[量化新手 ] [已完结]密度泛函理论 (0/872) 涤尘 2017-03-22 2017-03-22 18:10:03 by 涤尘
[Gaussian] [已完结][关贴]Gaussview自定义原子编号 (1/7838) 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 (3/662) 一池紫罗兰 2017-03-22 2017-03-22 08:45:00 by 一池紫罗兰
[其他] [已完结]化学反应速率 (1/553) zhj0735 2015-06-01 2017-03-22 07:57:29 by 红色婆婆丁
[已完结]求有关介绍密度泛函理论的详细文献 (2/1089) 涤尘 2017-03-21 2017-03-21 19:06:10 by 涤尘
[其他] [已完结]红外量子点 (1/625) shmilyplay 2017-03-05 2017-03-21 11:50:23 by Markhu
[Multiwfn] [已完结]Multiwfn在Windows上咋样安装 (9/6977) 122ybb 2015-04-09 2017-03-20 17:55:31 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 ) (12/1135) 紫薇愿 2017-03-16 2017-03-20 16:52:11 by qchem
[其他] [已完结]晶体场理论计算稀土荧光粉的光谱,是用什么程序或商业软件?? (1/908) nanyi 2017-03-15 2017-03-20 15:46:55 by 122ybb
[Gaussian] [已完结]环氧丙烷 (6/872) weitao2016 2017-03-17 2017-03-20 08:03:41 by Amittai
[Gaussian] [已完结]高斯优化特定键长 (0/999) champion10 2017-03-19 2017-03-19 14:36:21 by champion10
[其他] [已完结]Mesmer (1/955) sxh526 2017-03-17 2017-03-19 08:33:12 by clvn
[Gaussian] [已完结]理论计算审稿意见 (5/917) 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 (1/644) 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? (1/319) kent1022 2017-03-16 2017-03-17 14:59:53 by ra2ghgzh
[Gaussian] [已完结]过渡态求助    ( 1 2 ) (11/1014) smilenfree 2017-03-13 2017-03-17 09:42:45 by ZZU2011
[Molpro/ ] [已完结]Aguado-Paniagua函数拟合 (6/1911) kent1022 2013-11-28 2017-03-17 07:12:02 by 杨and王
[Gaussian] [已完结]材料计算研究生毕业 (6/995) 2016Here 2017-03-15 2017-03-15 23:47:34 by 2016Here
[Gaussian] [已完结]command not found (0/249) 萨沐特 2017-03-15 2017-03-15 21:03:46 by 萨沐特
[量化新手 ] [已完结]请高手帮忙将这个计算结果转化为ESP图 (8/1572) lry0377 2014-10-21 2017-03-15 20:59:31 by zhengyangzhy
[Gaussian] [已完结]请问溶液中的nmr化学位移如何计算 (1/445) yezi356123 2017-03-15 2017-03-15 17:06:39 by yezi356123
[量化新手 ] [已完结]大小基组优化的结构对称性不一致 (0/429) pl070325 2017-03-15 2017-03-15 12:08:24 by pl070325
[Gaussian] [已完结]高斯计算吸收谱L914报错 (2/1100) cjhztt 2011-11-02 2017-03-14 19:48:57 by paramecium86
[Gaussian] [已完结]计算化学 (0/336) zhuxuanli 2017-03-14 2017-03-14 16:48:54 by zhuxuanli
[其他] [已完结]DIRAC 程序 (0/488) mylongphy 2017-03-14 2017-03-14 15:39:33 by mylongphy
[Gaussian] [已完结]求助作图 (3/625) keke2017 2017-03-13 2017-03-14 14:50:50 by ra2ghgzh
[量化新手 ] [已完结]求助大神 (1/379) 18636623515 2017-03-14 2017-03-14 11:23:59 by 建建爱乖乖
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