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[热点] 285 求调剂 资源与环境 一志愿北京化工大学 未名考生 2026-03-15 刚刚
[Gaussian] [已完结]GaussView怎么在苯环中心放置原子啊? (2/1693) 莫吉托 2021-08-09 2021-08-10 09:56:46 by 莫吉托
[Gaussian] 求助CD作图 10 (1/1435) mayaoling 2020-08-12 2021-08-10 03:24:35 by jiyannangxj
[Gaussian] [已完结]高斯输入文件书写 (5/2127) 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 (1/1432) deny 2021-08-03 2021-08-03 12:20:15 by paramecium86
[其他] 密度泛函理论 (2/934) 小蔚超水 2021-07-19 2021-08-01 20:31:18 by soosso
[Gaussian] [已完结]高斯9999错误 (1/1870) 呆瓜呀呀 2021-07-31 2021-07-31 20:58:45 by paramecium86
[量化图形 ] Spartan14 激活码求助 300 (0/1000) muqifeng1991 2021-07-29 2021-07-29 15:52:17 by muqifeng1991
[量化新手 ] 问一下反键轨道的作用 30 (1/1807) 小家_嘟嘟 2021-07-25 2021-07-26 10:24:17 by jinnengzhi
[量化新手 ] 关于活性空间 50 (3/1116) 单单单1234 2021-07-16 2021-07-17 10:57:52 by 单单单1234
[Gaussian] 一个化合物中[K(2,2,2-crypt)]4是什么意思? 10 (0/586) 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? (6/2180) 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 ) (17/3756) 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? (3/1435) 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 ) (13/4455) 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 (0/656) 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 (19/3680) 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 (2/1379) wanglun 2021-06-23 2021-06-24 02:34:17 by paramecium86
[Gaussian] 单点能计算发生l913错误 20 (4/2030) 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 (0/847) Mystery0801 2021-06-23 2021-06-23 15:24:40 by Mystery0801
[Gaussian] 价态变化怎么提现 10 (4/1152) 单单单1234 2021-06-18 2021-06-22 20:45:27 by 单单单1234
[Molpro/ ] Molpro临时文件占用空间 50 (0/635) 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 (4/2289) 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 (7/2194) 郭锡迦 2021-06-18 2021-06-19 14:39:01 by 郭锡迦
[NBO/AIM] NBO 10 (2/945) 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 (1/659) eager不懈 2021-06-18 2021-06-19 01:17:22 by paramecium86
[Gaussian] [已完结]DFT-D色散力校正 (4/2446) 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 (4/2058) 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 (2/865) 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 (4/2549) 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 (10/3327) 单单单1234 2021-06-04 2021-06-12 02:19:15 by paramecium86
[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 (3/1640) 小美女1313 2021-05-31 2021-06-10 12:42:10 by paramecium86
[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 (1/1271) 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! (0/975) shine也之光 2021-06-01 2021-06-01 15:56:44 by shine也之光
[Gaussian] 计算有机配体的S1和T1的能级值,求大神指点 10 (2/1854) 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 (0/1323) 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 (5/3368) 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 ) (68/3616) 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! (0/745) 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 (2/935) 化学打工 2021-05-18 2021-05-18 12:50:52 by paramecium86
[其他] 高斯关键词 5 (1/680) ??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 (1/1212) 想早起的虫子 2021-05-16 2021-05-16 13:11:59 by paramecium86
[Gaussian] 计算HOMO/LUMO能 5 (5/3318) Soft_Boy 2021-05-13 2021-05-13 20:13:06 by Soft_Boy
[Gaussian] GaussView与Gaussian09W不兼容 5 (1/1217) 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 (3/2455) 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 (1/1177) Soft_Boy 2021-05-12 2021-05-13 02:04:14 by paramecium86
[其他] 量子化学题目求解 5 (2/1033) Titi1992 2021-05-08 2021-05-08 21:57:03 by Titi1992
[Gaussian] [已完结]内坐标与直角坐标 (4/3148) 小辫儿 2019-10-03 2021-04-25 21:45:18 by paramecium86
[ChemOff ] Chem3D里边没有GAMESS模块 10 (0/2386) 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 (1/843) wyxka 2021-04-22 2021-04-22 12:19:14 by paramecium86
[量化图形 ] vmd使用教程,求,急 10 (3/1288) Liumoshu 2021-03-18 2021-04-21 15:42:02 by gmx模拟
[Gaussian] [已完结]光谱 (1/789) wyxka 2021-04-18 2021-04-18 21:58:22 by paramecium86
[Gaussian] [已完结]拉曼数据 (3/1288) wyxka 2021-04-18 2021-04-18 20:50:17 by paramecium86
[量化新手 ] 求助高斯计算单点能 10 (1/1228) W嘟嘟W 2021-04-13 2021-04-13 23:35:31 by paramecium86
[Gaussian] [已完结]单位问题 (2/1546) wyxka 2021-04-11 2021-04-11 12:58:13 by paramecium86
[Gaussian] 求助GaussView软件! (5/1781) 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 (0/536) xiong.li0903 2021-04-08 2021-04-08 20:39:03 by xiong.li0903
[Gaussian] [已完结]结果分析 (3/1156) 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 (5/2106) 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? (1/3236) 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 (0/700) 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 (2/1136) 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 (0/823) 大力2010 2021-04-06 2021-04-06 16:40:22 by 大力2010
[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 (3/1364) 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 (5/3778) 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 (3/1799) sealanlan 2021-03-20 2021-04-01 00:21:37 by sealanlan
[Gaussian] 求G09 E01Win版本安装包 44 (2/964) 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 (0/646) 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 (0/1088) 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! (0/1277) 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 (5/1810) lymyan 2020-11-26 2021-03-23 20:00:55 by 628708089
[Gaussian] irc路径问题 10 (2/1641) 单单单1234 2021-03-18 2021-03-20 20:55:00 by 单单单1234
[Gaussian] [已完结][关贴]求助gaussian16 linux版的安装包 (0/1070) asdwsx125 2021-03-20 2021-03-20 16:49:14 by asdwsx125
[Gaussian] 如何使用高斯计算ESP (2/2544) 无脸男。 2021-03-07 2021-03-19 07:57:43 by 无脸男。
[量化图形 ] VMD 20 (0/729) 冲鸭66666 2021-03-19 2021-03-19 01:24:38 by 冲鸭66666
[量化图形 ] 求助Gaussian16 windows版的软件包 5 (1/1309) 橙子93爱你 2021-03-18 2021-03-18 13:04:32 by paramecium86
[Gaussian] 如何用gaussian view 给每个原子设定不同的基组 5 (1/1725) YXMivy 2021-03-16 2021-03-16 11:32:41 by paramecium86
[量化图形 ] 活动开始,高性能计算机时资源 (5/692) 李先生阿 2021-03-16 2021-03-16 04:47:23 by hhxxcc376
[Gaussian] [已完结][关贴]求资源gaussian09d.01 linux 64位版本 (0/700) xiong.li0903 2021-03-13 2021-03-13 09:34:39 by xiong.li0903
[Molpro/ ] molpro计算势能面雅克比坐标系问题 50 (0/768) gaoshenmo 2021-03-12 2021-03-12 21:11:33 by gaoshenmo
[量化新手 ] 求理论计算化学的教材推荐 10 (1/1364) Yang_25323 2021-03-12 2021-03-12 17:45:38 by paramecium86
[Gaussian] 想优化两个超分子结构, (1/681) 头圆与头大 2021-01-21 2021-03-10 15:09:24 by jinnengzhi
[Gaussian] Gview不能显示优化步骤 10 (1/1403) 杺儿丫 2021-03-06 2021-03-06 15:51:24 by paramecium86
[量化新手 ] 反应速率常数变化异常是为什么呢? 5 (3/2100) 单单单1234 2021-03-02 2021-03-05 11:08:31 by 单单单1234
[Gaussian] [已完结]cc-pwCVTZ-PP基组 (6/2206) gscn 2021-02-04 2021-03-04 15:32:29 by gscn
[Gaussian] [已完结]求windows 10操作系统的高斯09软件和配套的gaussview    ( 1 2 ) (13/3435) xg1987 2020-02-25 2021-03-04 13:16:18 by yxyyxn000
[量化新手 ] 想了解一下集群里面的一些概念比如说节点CPU啥的 100 (1/1179) aweiaaaa 2021-03-03 2021-03-03 19:07:51 by paramecium86
[Multiwfn] HOMO-LUMO gap是负值 50 (6/3461) 1240906hs 2021-02-23 2021-03-03 04:16:24 by paramecium86
[Gaussian] [已完结]求windows 10操作系统的高斯09软件和配套的gaussview (6/1656) tianmafei 2020-02-11 2021-03-02 14:08:23 by 408858154
[Gaussian] [已完结]求助---高斯计算锂离子的单点能 (6/3161) lp00 2021-02-28 2021-03-02 09:53:02 by lp00
[Gaussian] Gaussian适合算高分子PTFE和氢离子的吸附情形吗 10 (2/1186) 蓝蝶梦 2020-07-10 2021-03-01 17:10:30 by 蓝蝶梦
[Gaussian] 急,常见有机分子HOMO位置是随溶液pH变化? 30 (1/729) 异形杀手 2021-01-24 2021-02-28 16:26:13 by 卡开发发
[量化新手 ] 大佬求指教QE计算程序包问题~ (1/769) 爱笑精灵 2021-01-10 2021-02-28 16:11:13 by 卡开发发
[Gaussian] gaussian计算HOMO/LUMO轨道上电荷分布求助 8 (1/1509) 星禾2 2021-02-28 2021-02-28 15:52:41 by paramecium86
[Gaussian] Gaussian可以用于计算四氧化三铁的电子能级轨道吗? (5/1815) 大帝拉乌斯 2020-12-29 2021-02-28 13:17:01 by 卡开发发
[Gaussian] Gaussian 16输出文件转换 20 (3/3286) 白日做梦3 2021-02-27 2021-02-27 15:22:01 by paramecium86
[ADF/Dal ] 求adf软件 100 (0/942) luqing6879 2021-02-26 2021-02-26 07:17:14 by luqing6879
[Gaussian] 算完之后frequency列表显示为空,请问这是怎么回事呢? 20 (1/577) lab148 2021-02-25 2021-02-25 15:48:06 by paramecium86
[Gaussian] 请教一下比较分子能量时候考虑负号吗? 5 (3/3351) iamlongwei 2021-02-18 2021-02-19 04:35:27 by paramecium86
[ChemOff ] Chem3D运行Gamess预测红外图谱没反应咋回事呀 10 (3/3233) 颜朽儿 2020-10-10 2021-02-18 12:01:44 by h2o_360
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