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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]Gaussian或者其他软件 如何实现在限域空间中两个阳离子结构优化 (3/710) 艾吴江 2018-07-11 2018-07-13 09:17:47 by 艾吴江
[Gaussian] [已完结]小团簇模型的建立 (5/1684) 请叫我呼呼呼 2018-07-08 2018-07-10 19:00:14 by sgc8500
[Gaussian] [已完结]gaussian 09 做刚性扫描 scan 问题求助    ( 1 2 ) (10/3265) lj900911 2015-05-24 2018-07-10 18:14:39 by yangyang616
[Gaussian] [已完结]关于中间体如何确定的问题 (0/476) yinyuandage 2018-07-10 2018-07-10 14:40:15 by yinyuandage
[Gaussian] [已完结]怎么判断简正振动是有拉曼活性还是红外活性 (8/5963) 549536348 2012-04-18 2018-07-10 13:41:51 by 菲顶顶
[Gaussian] 今天看CC一篇文献算的跃迁偶极矩使用激发态偶极矩减去基态偶极矩,大家觉得对吗 (8/1482) chm_liyx 2013-11-01 2018-07-08 08:15:09 by 养兰花的目的
[Gaussian] [已完结]求软件 (1/582) 裔粒灰尘 2018-06-13 2018-07-06 23:55:58 by 熊猫TV
[Gaussian] [已完结]Gaussian中怎样对整个体系加外磁场方向及大小? (4/844) daisyglacier 2018-06-18 2018-07-06 09:05:08 by daisyglacier
[Gaussian] [已完结]如何利用氧化还原电势计算得出HOMO-LOMO轨道能级? (6/5393) kzyl 2011-10-16 2018-07-04 13:20:40 by 泡泡糖北京
[Gaussian] 优化激发态报错,求帮助 (35/692) 1534831173 2018-05-08 2018-07-04 11:10:09 by zhanggudan
[Gaussian] [已完结]总是出现PCMQM: There is more than one cavity, setting IComp=0. (0/1450) sunyang7965 2018-07-04 2018-07-04 08:50:09 by sunyang7965
[Gaussian] [已完结]类卟啉的体系比较能量高低用什么方法和基组比较准确 (7/1139) yutingliao 2018-06-30 2018-07-02 10:43:53 by yutingliao
[Gaussian] [已完结]高斯频率 (2/963) 小兰兰1995 2018-06-29 2018-07-01 17:01:03 by 小兰兰1995
[Gaussian] 偶极矩的问题 (6/574) 化工小姐 2018-03-20 2018-06-30 17:41:42 by 冇冇
[Gaussian] 高斯结构优化 (4/771) 小兰兰1995 2018-06-25 2018-06-27 10:22:20 by 小兰兰1995
[Gaussian] [已完结]高斯计算出现l103错误怎么办 (4/5864) 13014275273 2018-06-22 2018-06-25 08:38:43 by 13014275273
[Gaussian] [已完结]拉曼频率归属指认 (1/543) 裔粒灰尘 2018-06-24 2018-06-24 23:53:37 by meishensks
[Gaussian] 请教结合能的计算 (1/3761) zycz138 2016-07-10 2018-06-24 19:48:00 by laozhang1995
[Gaussian] [已完结]请教Gaussian怎样模拟电子顺磁共振光谱 (2/649) chemtcl 2018-06-22 2018-06-24 06:03:49 by chemtcl
[Gaussian] [已完结]求助计算AgSbF6六氟锑化银的基组问题 (5/1701) daniell251 2012-08-23 2018-06-23 17:42:17 by njzjz
[Gaussian] [已完结]Gaussian与系统 (6/1125) 裔粒灰尘 2018-06-09 2018-06-22 17:30:24 by lyl453433939
[Gaussian] [已完结]gaussian 09 计算振动精细吸收光谱 (3/5808) domilar 2015-10-21 2018-06-21 05:26:18 by 13781206651
[Gaussian] [已完结]用Gaussian计算单点能的方法和基组的选择问题    ( 1 2 ) (11/4746) xmynba 2018-06-19 2018-06-20 15:58:07 by xmynba
[Gaussian] 高斯报出L101错误,萌新请大神解答 (2/934) 凌瑞宝宝 2018-01-24 2018-06-19 09:20:09 by fan5561777
[Gaussian] [已完结]DFT计算研究二氧化碳电化学还原机理 (7/2644) zouliuyong 2018-05-30 2018-06-19 00:06:23 by 黄花落
[Gaussian] [已完结]荧光量子产率计算 (0/952) 475006720 2018-06-18 2018-06-18 23:54:26 by 475006720
[Gaussian] [已完结]SOS!急需win7能用的高斯软件! (9/1706) wangzp 2017-07-10 2018-06-17 05:11:46 by 懒懒呢
[Gaussian] [已完结]熵、焓 (1/774) 李辉。 2018-05-27 2018-06-16 08:16:35 by yanhualu2000
[Gaussian] 求助 (3/878) 金色年华gif 2018-06-13 2018-06-13 20:14:45 by ABetaCare
[Gaussian] 【求助】菜鸟求助:gaussian下能否添加电磁场一类的环境 (3/861) 银尘 2010-11-21 2018-06-13 13:38:46 by daisyglacier
[Gaussian] [已完结][关贴]求 福州大学 章永凡老师《量子化学计算方法》PPT (3/1340) sunflower1092 2018-06-12 2018-06-13 00:19:36 by 136abc
[Gaussian] 有比较会Gaussian的吗? (9/3686) Lewis1900 2018-06-10 2018-06-12 10:39:51 by charger666
[Gaussian] [已完结]用高斯做相互作用能校正    ( 1 2 ) (10/2483) nunup5 2012-03-22 2018-06-11 07:26:28 by 舟小水
[Gaussian] [已完结]Gaussion09软件Start Animation怎么分辨每种频率下的振动类型? (0/638) Aimmmer 2018-06-09 2018-06-09 09:35:51 by Aimmmer
[Gaussian] 使用重水做溶剂高斯计算时大家都是怎么考虑溶剂化模型呢?PCM里面好像没有重水的选项 (26/3493) marson 2013-10-15 2018-06-09 06:22:56 by guozinina
[Gaussian] [已完结]关于高斯中如何计算自旋密度~    ( 1 2 ) (15/2571) marson 2013-03-31 2018-06-08 19:03:17 by 知识的阶梯
[Gaussian] [已完结]计算A,B分子的吸附能的BSSE校正和DFT-D3(BJ)校正 (0/1333) edc111 2018-06-08 2018-06-08 17:46:39 by edc111
[Gaussian] 【求助】读取数据时出现问题 (5/1021) zrcrong 2010-06-04 2018-06-08 06:15:34 by zhaoshenxuan
[Gaussian] [已完结]如何在高斯建模中指定某个原子带电荷? (7/3341) guodianzhu 2016-10-28 2018-06-07 15:17:33 by 2016216013
[Gaussian] [已完结]计算终止 Leave Link 301 (2/2134) slay3 2011-11-19 2018-06-06 10:56:18 by heaven安风
[Gaussian] [已完结]表面增强拉曼光谱理论计算 (2/955) 裔粒灰尘 2018-06-05 2018-06-05 18:40:55 by ABetaCare
[Gaussian] [已完结]Guess=Tcheck (2/2372) skysky112211 2013-05-08 2018-06-05 14:26:40 by 赵hff
[Gaussian] [已完结]量化计算方法精度问题,求指教 (1/1596) y_yuer 2016-11-25 2018-06-05 12:21:39 by Lskying~
[Gaussian] [已完结]若某团簇只存在一种原子且无氢原子那是不是算到6-311+G(d)就可以了呢 (1/415) Lexie-grey 2015-03-31 2018-06-05 11:53:16 by Lskying~
[Gaussian] 配合物的优化结构与计算轨道 (1/442) 爱而不得 2018-06-04 2018-06-04 19:33:19 by ABetaCare
[Gaussian] [已完结]GaussSum怎么统计Gaussian计算的NBO电荷局部分布 (0/2069) sgc8500 2018-06-02 2018-06-02 11:29:27 by sgc8500
[Gaussian] 【求助】求助level计算光谱数据 (3/987) shinee 2010-06-04 2018-06-01 06:41:48 by 知222
[Gaussian] 高斯 (1/445) 13933068087 2018-05-31 2018-05-31 23:32:40 by ABetaCare
[Gaussian] 【求助】用高斯计算吉布斯自由能 (4/3556) asaki 2011-03-24 2018-05-31 08:15:38 by 水薄凉
[Gaussian] [已完结]求解高斯906错误 (1/1761) 岳丽丽75 2014-10-24 2018-05-31 07:41:52 by -CYF-
[Gaussian] [已完结]计算迁移率? (6/1537) 李东奇 2012-07-15 2018-05-31 07:26:54 by 化工小坤
[Gaussian] [已完结]chk转fchk (4/2306) 13933068087 2018-05-16 2018-05-29 22:12:38 by 沫影晓晓
[Gaussian] [已完结]求助高斯09或者03安装包 (2/865) zziwuzhulin 2018-05-29 2018-05-29 16:59:32 by loglijing
[Gaussian] [已完结]MP2结果异常 (0/528) CIHUT 2018-05-29 2018-05-29 11:09:52 by CIHUT
[Gaussian] [已完结]分子极性求助!!! (6/2057) 笨丁子 2013-11-17 2018-05-28 21:51:21 by zjb_nudt
[Gaussian] [已完结]高斯优化计算的红外拉曼强度数据怎么导出 (3/1889) 78494428 2012-09-13 2018-05-28 20:44:36 by mtnano
[Gaussian] [已完结]强烈求助Error termination request processed by link 9999错误    ( 1 2 ) (17/4452) cj4566 2011-06-23 2018-05-27 18:31:16 by 云烟2015
[Gaussian] gaussview画图 (1/713) zr0607 2017-12-05 2018-05-27 12:41:25 by 米修米修1988
[Gaussian] 求提交高斯计算到超算中心的脚本文件?万分感谢! (17/1196) 沫影晓晓 2018-05-09 2018-05-25 09:45:23 by 沫影晓晓
[Gaussian] [已完结]求算两个有机的Homo与Lomo (6/2057) 鹏程Je 2018-05-23 2018-05-23 22:09:24 by 王亚134
[Gaussian] [已完结]高斯计算 (3/776) sanyuexue 2017-05-29 2018-05-23 06:23:21 by houhou0123
[Gaussian] [已完结]如何用高斯计算binding energy (1/1315) mercury13100 2017-09-26 2018-05-21 19:30:09 by ABetaCare
[Gaussian] [已完结]Gaussian09 NMR (0/448) 狼图腾M 2018-05-21 2018-05-21 19:22:33 by 狼图腾M
[Gaussian] [已完结]Gaussian 计算 (0/718) cccccrrrrr 2018-05-21 2018-05-21 09:26:06 by cccccrrrrr
[Gaussian] [已完结]高斯计算荧光光谱的问题 (2/903) 乌鸦君 2018-05-18 2018-05-20 11:09:37 by qchem
[Gaussian] [已完结]计算碱基间能量,在水环境、蛋白环境中的能量要小于气相,什么原因?要提供文献。谢谢 (1/457) kkkwen 2018-05-15 2018-05-19 06:40:54 by qchem
[Gaussian] [已完结]求助用高斯计算三线态能级的具体步骤 (1/788) 爱情海1990 2018-05-06 2018-05-19 01:06:49 by 云行雨施
[Gaussian] [已完结]QM/MM AMBER力场参数修改 (1/742) 94意影 2018-05-15 2018-05-18 19:31:02 by xytk04
[Gaussian] 华南理工大学材料科学与工程    ( 1 2 ) (51/804) 1534831173 2018-05-18 2018-05-18 17:30:05 by superceng
[Gaussian] [已完结]求大神为什么我的Gaussian经常自己出错? (3/1444) foriliar 2018-01-26 2018-05-18 11:42:55 by PD1994
[Gaussian] [已完结]求助Gaussian 09如何进行单线态的开壳层计算 (QC强帖+1)(8/2824) baiyang2000 2017-04-10 2018-05-17 21:05:46 by paramecium86
[Gaussian] [已完结]用高斯计算溶剂中的反应 (0/453) 戴花呵呵哒 2018-05-16 2018-05-16 23:49:23 by 戴花呵呵哒
[Gaussian] 用高斯计算溶液中的反应,考虑溶剂化效应时,水分子个数选择的依据是是什么? (1/1451) shuligaoshou 2018-05-13 2018-05-16 17:37:51 by zwtfire
[Gaussian] [已完结]求助 (0/348) 淡如水? 2018-05-15 2018-05-15 18:27:01 by 淡如水?
[Gaussian] [已完结]Gaussian PBC 晶体优化错误(L302和L502) (1/1773) liyuanhe211 2011-05-12 2018-05-15 05:50:01 by 星缘阿巴查
[Gaussian] [已完结][关贴]求Gauss View 5.0安装包 (3/3526) 卢金应 2018-05-13 2018-05-14 11:39:57 by 卢金应
[Gaussian] 激子结合能 (12/868) cwllxy 2018-01-10 2018-05-11 03:58:41 by cwllxy
[Gaussian] 怎么计算反应发生的难易程度 (1/598) yuxing427 2018-05-10 2018-05-10 12:41:59 by xiewuhua
[Gaussian] Error termination via Lnk1e in C:\Gaussian09W\l103.exe 该怎么修改 (2/2010) 爬书德 2018-05-06 2018-05-09 22:28:04 by 爬书德
[Gaussian] [已完结][关贴]高斯错误 No W atoms found in this molecule. (0/417) 会游泳的包子 2018-05-09 2018-05-09 18:22:14 by 会游泳的包子
[Gaussian] [已完结]请问高斯可以直接作出HOMO图吗? (3/1323) 无机材料学 2018-05-06 2018-05-08 07:03:04 by crosschannel
[Gaussian] [已完结]光学方面,如何计算查看三线态能级? (4/2639) yinguojie 2015-09-19 2018-05-08 06:14:32 by 爱情海1990
[Gaussian] [已完结]求助溶剂化计算时的SM8模型的输入 (0/478) yyuan8658 2018-05-07 2018-05-07 15:05:14 by yyuan8658
[Gaussian] [已完结]跪求Gaussian软件安装包 (5/1183) 卢金应 2018-05-05 2018-05-06 07:00:41 by qinzhuli
[Gaussian] [已完结]请告诉我如何用gaussview看拉曼光谱图 (7/2913) fujinglin 2013-03-11 2018-05-04 16:09:37 by maoming
[Gaussian] [已完结]Gaussian小白求助 (0/403) xiayu1996 2018-05-04 2018-05-04 15:04:51 by xiayu1996
[Gaussian] [已完结]请问谁会高斯软件优化分子结构,然后模拟计算出分子尺寸大小。可付费。 (2/1030) 贩偶之旅 2018-05-03 2018-05-04 06:33:41 by qchem
[Gaussian] [已完结]Gaussian03程序 计算出现问题怎么解决 (0/312) ff的小仙女 2018-05-03 2018-05-03 10:43:27 by ff的小仙女
[Gaussian] [已完结]从高斯激发态优化输出文件中提取原子坐标 (9/2078) 医无止境 2011-11-16 2018-05-03 09:51:02 by 苏格拉没有地
[Gaussian] [已完结]关于激发态的优化和激发态的轨道的问题 (6/1464) huangshp 2011-05-23 2018-04-28 14:06:32 by 2012pc
[Gaussian] [已完结]求高斯09 D01版本(windows)的安装包。 (1/1445) 冯林雁 2018-01-31 2018-04-27 14:29:33 by chenpian123
[Gaussian] [已完结]Gaussian计算log文件中给出两次收敛判断是什么意思? (1/859) 独孤立啊 2017-08-29 2018-04-27 08:34:17 by 梁子XDU
[Gaussian] [已完结]高斯计算出现问题怎么解决 (3/1334) 1416108779 2017-11-28 2018-04-27 08:33:19 by 梁子XDU
[Gaussian] [已完结]请问Gaussian 03可以算同位素吗?该怎么设置呢? (6/1527) 独孤立啊 2017-10-21 2018-04-27 08:31:12 by 梁子XDU
[Gaussian] [已完结]高斯 aug-cc-pv(T+d)z 基组 (6/1883) 雨· 2013-03-28 2018-04-27 07:10:32 by 1149689153
[Gaussian] [已完结]Gaussian 09 优化算到一半就没了,没有任何报错,就是到一半就停了 (5/2363) 半步沧澜2K 2016-08-03 2018-04-27 05:49:49 by tripoy
[Gaussian] [已完结]求助 (8/773) 淡如水? 2018-04-22 2018-04-26 06:34:16 by KIBPhyto
[Gaussian] 关于高斯的4个收敛标准 (11/5479) polaris2 2011-10-03 2018-04-25 09:00:06 by 采岑
[Gaussian] [已完结]求助 (1/293) 淡如水? 2018-04-24 2018-04-24 23:39:17 by lkk1213
[Gaussian] [已完结]Gauss算溶剂化可以不用输入介电常数吗 (7/1632) kaluoyi2008 2012-05-15 2018-04-24 18:45:48 by nicone
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