24小时热门版块排行榜    

管理团队 (金币库 106955 充值 )

主管区长:
月只蓝小红豆
主管版主:
zhou2009paramecium86

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 2024 - Atropisomerism in Asymmetric Organic Synthesis asymmsyn 2026-02-09 刚刚
[其他] 有没有量化博士毕业要找工作的啊?请进! (1/1263) 学员f8qsBw 2018-01-30 2021-08-08 13:44:36 by 万小豆love
[其他] [已完结]请教毫摩尔问题 (3/621) 新农民 2016-12-26 2021-08-08 08:18:16 by 阳光与风
[Gaussian] [已完结]高斯输入文件书写 (5/2084) 江汉秋影燕 2021-08-06 2021-08-06 16:57:55 by 江汉秋影燕
[Gaussian] 经典资源重发--- 高斯09中文说明书 (3/369) paramecium86 2021-06-27 2021-08-05 16:51:11 by Longzikun
[Gaussian] lumo能量大小与亲核能力的关系 50 (1/1402) deny 2021-08-03 2021-08-03 12:20:15 by paramecium86
[其他] 密度泛函理论 (2/906) 小蔚超水 2021-07-19 2021-08-01 20:31:18 by soosso
[Gaussian] [已完结]高斯9999错误 (1/1827) 呆瓜呀呀 2021-07-31 2021-07-31 20:58:45 by paramecium86
[Gaussian] [已完结]电子密度计算 (4/2611) shasha87 2014-12-25 2021-07-29 18:01:11 by vincer0532
[量化图形 ] Spartan14 激活码求助 300 (0/985) muqifeng1991 2021-07-29 2021-07-29 15:52:17 by muqifeng1991
[Gaussian] [已完结]请教大神,高斯计算频率怎么和实验结果进行比对 (1/526) ytzhjx 2015-04-03 2021-07-26 19:28:49 by vincer0532
[量化新手 ] 问一下反键轨道的作用 30 (1/1771) 小家_嘟嘟 2021-07-25 2021-07-26 10:24:17 by jinnengzhi
[量化新手 ] [已完结]VEDA 4 (1/1383) zhang_yu1011 2017-03-29 2021-07-25 08:57:12 by fishvic
[量化新手 ] 关于活性空间 50 (3/1054) 单单单1234 2021-07-16 2021-07-17 10:57:52 by 单单单1234
[Gaussian] [已完结]gaussview中怎样把两分子构造成二聚体 (4/2152) lplunanjing 2011-10-19 2021-07-14 12:36:49 by 韩员力
[Gaussian] 【求助】晶体结构——量子化学从头计算如何取单元结构? (2/889) lylibihui 2011-03-17 2021-07-13 08:08:26 by 想看海233
[量化新手 ] [已完结]量化计算不成功 (1/997) lincunli 2015-01-22 2021-07-13 08:00:54 by Aleen1996
[Gaussian] 一个化合物中[K(2,2,2-crypt)]4是什么意思? 10 (0/578) 标点人生Wy 2021-07-12 2021-07-12 19:03:00 by 标点人生Wy
[Gaussian] [已完结]有没有哪位大神有高斯09源代码? (6/2154) tnhb 2020-03-12 2021-07-08 07:22:28 by 9527567
[Gaussian] [已完结]求助Gaussian 09W Windows64版本    ( 1 2 ) (17/3685) kingleft13 2019-02-23 2021-07-05 07:50:36 by 修竹好衰
[量化新手 ] 请问HOMO能量计算出来后,保留有效数字到小数点后几位? (3/1388) 何相逢 2021-06-10 2021-07-01 22:19:12 by Vanilla.
[Gaussian] [已完结]求助第三版的 Exploring Chemistry with Electronic Structure Methods    ( 1 2 ) (13/4372) magicrao 2020-02-05 2021-06-30 16:09:23 by paramecium86
[Gaussian] [已完结][关贴]求助guassian09 linux 64位安装包 (0/629) lemon_2014 2021-06-29 2021-06-29 09:59:31 by lemon_2014
[Gaussian] 高斯不收敛,如何优化    ( 1 2 ) 50 (19/3551) sky423 2021-06-21 2021-06-28 16:50:42 by paramecium86
[Gaussian] 高斯算出来的这个体积单位是什么意思啊 5 (2/1333) wanglun 2021-06-23 2021-06-24 02:34:17 by paramecium86
[Gaussian] 单点能计算发生l913错误 20 (4/1984) 可惜没如果_ 2021-06-22 2021-06-23 18:54:40 by paramecium86
[量化新手 ] [已完结][关贴]求助gaussian软件 (0/835) Mystery0801 2021-06-23 2021-06-23 15:24:40 by Mystery0801
[Gaussian] 价态变化怎么提现 10 (4/1126) 单单单1234 2021-06-18 2021-06-22 20:45:27 by 单单单1234
[Gaussian] [已完结][关贴]求gaussian 09 linux 64 位安装包    ( 1 2 3 ) (23/8870) 苏格拉没有地 2018-11-23 2021-06-21 19:52:59 by xuling321
[Molpro/ ] Molpro临时文件占用空间 50 (0/619) exabyss916 2021-06-20 2021-06-20 18:56:04 by exabyss916
[Gaussian] 溶剂中溶质分子的HOMO,LUMO计算 30 (4/2207) 吴彤熙 2021-06-06 2021-06-20 12:58:52 by longwave
[Gaussian] [已完结]求gaussian09安装包以及怎么对构象进行几何优化 (7/2122) 郭锡迦 2021-06-18 2021-06-19 14:39:01 by 郭锡迦
[NBO/AIM] NBO 10 (2/911) 单单单1234 2021-06-18 2021-06-19 01:24:54 by paramecium86
[其他] 求好心人帮我下载文章吧,跪谢!!! 10 (1/638) eager不懈 2021-06-18 2021-06-19 01:17:22 by paramecium86
[Linux应 ] GaussRate及其说明书 (26/1926) t13340033021 2013-12-29 2021-06-18 11:59:36 by hyudlut
[Gaussian] [已完结]DFT-D色散力校正 (4/2383) 江汉秋影燕 2021-05-21 2021-06-17 16:00:50 by 超算试用
[Gaussian] 高斯计算氢键红外图,发现多了一个键,这个有可能是氢键吗? 20 (4/1983) 甬141 2021-06-11 2021-06-16 16:19:41 by 甬141
[NBO/AIM] NBO计算输出文件应该怎么分析呢? 10 (2/830) 单单单1234 2021-06-12 2021-06-13 14:04:52 by paramecium86
[Gaussian] Li+与EC(碳酸乙烯酯)结合能计算 50 (4/2468) frank_xiao 2021-04-26 2021-06-12 22:38:30 by 1464969820
[Gaussian] 求指教,用gaussian计算ccsd(t)的频率优化的关键词怎么写呢?    ( 1 2 ) 10 (10/3217) 单单单1234 2021-06-04 2021-06-12 02:19:15 by paramecium86
[Gaussian] [已完结]Gaussian09软件计算的CCSD(T)方法算不动咋办? (5/1488) maomao7777 2016-04-15 2021-06-11 18:53:48 by 单单单1234
[其他] MOLECULAR ORBITAL THEORY (分子轨道理论) (44/3341) shuangliwang 2014-09-25 2021-06-11 07:45:08 by wenck
[Gaussian] 计算小白,计算有机分子荧光发射的S1和磷光中的T1,求大神指点 50 (3/1586) 小美女1313 2021-05-31 2021-06-10 12:42:10 by paramecium86
[量化新手 ] 分子尺寸大小的计算 (5/2174) jerkwin 2016-06-24 2021-06-10 11:59:45 by shibuwei26
[Gaussian] 求助在用高斯计算团簇结构的拉曼光谱,请问如何加入波长和温度的参数 50 (1/1238) WJ581692 2021-06-04 2021-06-05 02:48:42 by paramecium86
[Gaussian] [已完结][关贴]求一份Linux版64位Gaussian09安装包 不胜感激! (0/954) shine也之光 2021-06-01 2021-06-01 15:56:44 by shine也之光
[Gaussian] [已完结]重金求gaussview for mac (3/2162) 313588908 2016-01-28 2021-05-31 11:46:57 by Superficial
[Gaussian] 计算有机配体的S1和T1的能级值,求大神指点 10 (2/1817) 小美女1313 2021-04-17 2021-05-31 09:29:04 by 小美女1313
[量化图形 ] 安装molden 20 (0/1296) 小薛冲冲冲 2021-05-30 2021-05-30 17:49:35 by 小薛冲冲冲
[Gaussian] 求助Gaussian16 C.01 linux64位版本 100 (5/3323) 火种1234 2020-10-08 2021-05-26 13:28:54 by NEWMS
[Gaussian] 无能垒反应的反应速率计算    ( 1 2 ) (68/3532) 流浪猫小琪 2019-08-22 2021-05-20 20:52:46 by 慢半拍呢陈陈
[Gaussian] [已完结][关贴]求一份Linux版64位Gaussian09安装包 不胜感激! (0/732) jiaoluodou 2021-05-19 2021-05-19 18:27:24 by jiaoluodou
[Gaussian] 高斯09怎么应用于计算分子印迹功能单体与模板的配比 5 (2/900) 化学打工 2021-05-18 2021-05-18 12:50:52 by paramecium86
[其他] 高斯关键词 5 (1/647) ??中路 2021-05-17 2021-05-17 13:27:33 by paramecium86
[Gaussian] 用Guassian计算溶质与溶剂之间的相互作用能 28 (1/1187) 想早起的虫子 2021-05-16 2021-05-16 13:11:59 by paramecium86
[Gaussian] 计算HOMO/LUMO能 5 (5/3237) Soft_Boy 2021-05-13 2021-05-13 20:13:06 by Soft_Boy
[Gaussian] GaussView与Gaussian09W不兼容 5 (1/1185) Soft_Boy 2021-05-13 2021-05-13 19:46:14 by paramecium86
[Gaussian] 求助Gaussian09W运行过程中无法创建文件 5 (3/2414) Soft_Boy 2021-05-13 2021-05-13 19:42:52 by paramecium86
[Gaussian] [已完结][关贴]求助GaussView5.0.9或者5.0.8安装包 (1/1145) Soft_Boy 2021-05-12 2021-05-13 02:04:14 by paramecium86
[其他] 量子化学题目求解 5 (2/1004) Titi1992 2021-05-08 2021-05-08 21:57:03 by Titi1992
[Gaussian] [已完结]内坐标与直角坐标 (4/3114) 小辫儿 2019-10-03 2021-04-25 21:45:18 by paramecium86
[Gaussian] [已完结]guassian计算一个中间产物,一直显示 Not enough memory in AlgDDF (3/916) 一直在等你 2013-12-04 2021-04-25 07:47:37 by zhangning20
[ChemOff ] Chem3D里边没有GAMESS模块 10 (0/2367) 晴大傻 2021-04-23 2021-04-23 16:11:06 by 晴大傻
[Gaussian] [已完结]紫外可见吸收光谱 (1/821) wyxka 2021-04-22 2021-04-22 12:19:14 by paramecium86
[量化图形 ] vmd使用教程,求,急 10 (3/1243) Liumoshu 2021-03-18 2021-04-21 15:42:02 by gmx模拟
[其他] 我有一个问题想要请教各位大神,关于KiSThelp软件 (2/1547) fancici157 2018-11-05 2021-04-21 12:13:26 by 好学又懒惰
[量化新手 ] [已完结]使用Materials Studio的CASTEP计算中,出现了“服务器正在运行中”的对话框 (7/7617) Conleth 2016-07-01 2021-04-20 17:28:32 by kdaqzj
[Gaussian] [已完结]光谱 (1/762) wyxka 2021-04-18 2021-04-18 21:58:22 by paramecium86
[Gaussian] [已完结]拉曼数据 (3/1250) wyxka 2021-04-18 2021-04-18 20:50:17 by paramecium86
[Gaussian] [已完结]GMMX运行出错 (3/1459) yangxing0827 2018-05-11 2021-04-18 08:23:18 by 好学又懒惰
[Gaussian] [已完结]求助gaussian09安装问题 (7/2146) 361941517 2015-01-31 2021-04-16 19:11:06 by 星星浅浅
[其他] [已完结]重金悬赏cosmotherm软件! (6/2588) 心仪天下 2012-11-14 2021-04-16 14:23:13 by haimei3024
[其他] 分子光谱学专论(清晰扫描版)    ( 1 2 3 4 5 6 .. 9 ) (408/18470) Quan. 2012-12-02 2021-04-16 07:16:13 by xiaosui1982
[量化新手 ] 求助高斯计算单点能 10 (1/1201) W嘟嘟W 2021-04-13 2021-04-13 23:35:31 by paramecium86
[其他] Cotton: Chemical Application of Group Theory 英文第三版    ( 1 2 3 ) (126/5809) solarcell886 2014-09-19 2021-04-13 11:17:38 by shifw
[Gaussian] [已完结]LUMO-HOMO能隙与α电子β电子关系    ( 1 2 ) (16/6938) 我的小樱桃 2014-05-09 2021-04-12 12:11:59 by 亮亮爱娜娜
[Gaussian] 【求助】开壳层中怎样计算HOMO和LUMO的能级差 (2/2526) maoyt77 2011-01-23 2021-04-12 11:25:58 by 亮亮爱娜娜
[Gaussian] [已完结]单位问题 (2/1499) wyxka 2021-04-11 2021-04-11 12:58:13 by paramecium86
[Gaussian] 求助GaussView软件! (5/1733) soulless03 2019-09-15 2021-04-11 07:21:49 by 取名真tm南
[Gaussian] [关贴]求助g03e01-em64t.tar.gz软件一个 20 (0/526) xiong.li0903 2021-04-08 2021-04-08 20:39:03 by xiong.li0903
[Gaussian] [已完结]结果分析 (3/1132) wyxka 2021-04-07 2021-04-08 15:08:46 by paramecium86
[Gaussian] 超算中心的账号可以自己安装高斯吗 40 (5/2046) zxy7909 2021-02-03 2021-04-08 12:07:58 by qaz0033
[Gaussian] 请问可以在gaussvuew中直接保存保存透明背景的图片吗? (1/3163) MOTIPY 2021-04-07 2021-04-08 04:17:23 by paramecium86
[Gaussian] GaussView中的Show Dipole Derivative Unit Vector有什么样的物理意义 10 (0/690) 2361625042 2021-04-07 2021-04-07 10:32:33 by 2361625042
[Gaussian] [已完结]结构优化的结果分析 (2/1115) wyxka 2021-04-06 2021-04-06 17:03:43 by wyxka
[Turbomo ] 请教高手 怎样并打开 linxu 下的 Turbomole 软件 ? 10 (0/811) 大力2010 2021-04-06 2021-04-06 16:40:22 by 大力2010
[Gaussian] [已完结]关于高斯运行内存设置对于运算效率影响的问题 (7/2694) yezhonghua09 2015-12-08 2021-04-04 15:36:40 by paramecium86
[Gaussian] gaussion09manual及gaussian入门(非09)    ( 1 2 ) (95/5497) zhuysh05 2011-10-27 2021-04-02 18:53:50 by 15290675859
[其他] 能否帮忙排下丙三醇、山梨醇、葡萄糖、蔗糖、脂肪酸钠的极性大小? 58 (3/1330) chemlaw 2021-03-06 2021-04-02 09:43:43 by chemlaw
[其他] [已完结]求助书籍:赖文《量子化学》第七版PDF版,Quantum Chemistry 7th ed by Levine (5/3721) 王绍岩 2019-12-23 2021-04-02 07:56:26 by xiaohuangw
[Gaussian] 光照下闭环到开环的反应,怎么正确地找到单重激发态的过渡态? 20 (3/1740) sealanlan 2021-03-20 2021-04-01 00:21:37 by sealanlan
[ADF/Dal ] 恳求一个ADF大神 (17/1671) 12345678我 2018-07-03 2021-03-31 14:33:50 by i90725
[Gaussian] 求G09 E01Win版本安装包 44 (2/933) 往南123 2021-03-29 2021-03-29 09:37:49 by muzhong242
[其他] BMIMPF6 计算homo和lumo时遇到问题,求助 10 (0/628) hhxxjh123 2021-03-28 2021-03-28 17:48:45 by hhxxjh123
[量化图形 ] Mo7S16团簇代表什么意思 (0/1067) 保佑上岸?以 2021-03-26 2021-03-26 15:30:09 by 保佑上岸?以
[文章故事] 国仪量子发布重要成果:量子比特品质因数提升40倍,可极大提高量子计算能力! (0/1250) 国仪量子 2021-03-25 2021-03-25 18:38:55 by 国仪量子
[Gaussian] 求一份windows 10操作系统的gaussview 15 (5/1758) lymyan 2020-11-26 2021-03-23 20:00:55 by 628708089
[Gaussian] irc路径问题 10 (2/1576) 单单单1234 2021-03-18 2021-03-20 20:55:00 by 单单单1234
[其他] [已完结]如何优化计算过渡态的激发态结构 (1/833) caiyun860519 2012-04-19 2021-03-20 18:50:12 by sealanlan
[Gaussian] [已完结][关贴]求助gaussian16 linux版的安装包 (0/1058) asdwsx125 2021-03-20 2021-03-20 16:49:14 by asdwsx125
相关版块跳转
查看