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[热点] 催稿后秒拒 lizhengke06 2024-04-25 刚刚
[Gaussian] [已完结]求Gaussian软件用的基组pcSseg-1(C、H、O、N) (4/785) hee_csu 2020-09-27 2020-09-28 11:08:22 by paramecium86
[其他] 求助 6 (0/254) big rain 2020-09-27 2020-09-27 22:02:43 by big rain
[Gaussian] 计算新手_电荷和多重度问题 20 (1/426) 18235483428 2020-09-23 2020-09-23 22:59:06 by paramecium86
[Gaussian] [已完结]QTS2运行时停留在L103 (1/554) gscn 2020-09-23 2020-09-23 22:29:42 by paramecium86
[量化新手 ] 求教怎样用gaussview把计算过程在文章中以存档条目呈现 50 (1/533) 独行无疆 2020-09-23 2020-09-23 22:15:30 by paramecium86
[其他] 求ABC安装包和教程 5 (0/297) wulalababa 2020-09-23 2020-09-23 14:55:50 by wulalababa
[Gaussian] 求助Gaussian 09的64位linux版本和配套的gaussview,有哪位大佬能分享一下不? 5 (9/1596) 科研冲啊 2019-11-26 2020-09-22 12:01:52 by 小气鬼大男人
[Gaussian] [已完结][关贴]求Gaussian09/16 ,gaussview windows版本安装包 (0/757) sdlymzb1987 2020-09-19 2020-09-19 09:24:22 by sdlymzb1987
[Gaussian] Irc 10 (1/373) 单单单1234 2020-09-16 2020-09-17 11:03:10 by paramecium86
[Gamess/ ] 求助关于Q-chem 输入文件中$cdft部分的理解 20 (0/1071) youxx189 2020-09-15 2020-09-15 09:50:02 by youxx189
[Gaussian] [已完结][关贴]求Gaussian,Gaussianview Windows版本安装包,谢谢 (0/358) 爱睡的胖子 2020-09-15 2020-09-15 01:08:47 by 爱睡的胖子
[Gaussian] 计算有机荧光分子的吸收光谱和发射光谱 20 (1/489) 合合?合 2020-09-14 2020-09-14 23:36:58 by paramecium86
[其他] 【原版教材•中英对照】量子化学(第七版) Quantum Chemistry (7/866) m旧时光 2020-08-10 2020-09-14 21:49:03 by ypghnust61
[其他] Maestro软件卸载后无法重新安装怎么办 10 (0/373) 帅帅在路上 2020-09-13 2020-09-13 18:32:21 by 帅帅在路上
[Gaussian] Gaussian计算优化问题求助 100 (1/795) gougaozhan 2020-09-12 2020-09-12 15:13:06 by paramecium86
[Multiwfn] 祝自己好运    ( 1 2 ) 177 (63/915) Gensler 2020-06-05 2020-09-12 10:09:04 by yulong0418
[Gaussian] 求助理论计算 (37/768) 紫罗兰2 2020-09-07 2020-09-11 07:30:01 by 美好2020
[Gaussian] [已完结][关贴]求Gaussian和Gaussianview的win7版本 (0/353) GOATCR7 2020-09-10 2020-09-10 16:03:23 by GOATCR7
[Gaussian] [已完结][关贴]求助Linux版的Gaussview 06 急需谢谢 (0/268) s63712006 2020-09-08 2020-09-08 23:36:57 by s63712006
[其他] 碳点 5 (2/712) 鹿跑跑 2020-05-10 2020-09-08 20:53:02 by 芒果加冰
[Gaussian] 计算中自旋多重度的选择的疑惑 新手求助 15 (5/1675) simiamest 2020-09-05 2020-09-07 20:38:42 by simiamest
[Gaussian] [已完结][关贴]有兄弟有gaussianview5.0安装包吗? (0/308) 我爱科研1206 2020-09-07 2020-09-07 10:48:21 by 我爱科研1206
[Gaussian] L510错误 10 (4/781) 温阿温i 2020-09-05 2020-09-05 18:13:42 by 温阿温i
[Gaussian] 如何用DFT方法计算化合物的核磁谱图 10 (1/672) starskyyy 2020-09-05 2020-09-05 14:15:37 by paramecium86
[量化新手 ] 构象搜索    ( 1 2 ) 30 (10/2630) sophie丁 2020-07-31 2020-09-04 22:56:51 by sophie丁
[Gaussian] 用ONIOM关键词算吸收,请问可以看分子轨道吗?    ( 1 2 3 ) 10 (21/2974) youxx189 2020-06-21 2020-09-04 12:12:16 by paramecium86
[量化新手 ] 请教,关于赖文的《量子化学》版次问题 50 (2/466) ncomm 2020-09-02 2020-09-04 07:48:43 by ncomm
[Gaussian] 如何深刻理解高斯基集与密度泛函理论的关系? (1/1082) shuligaoshou 2020-08-23 2020-09-03 18:42:02 by www1
[Multiwfn] 请问一个分子的静电势可以全是负的嘛 5 (2/1350) dear陌生人 2018-12-23 2020-09-03 15:36:22 by zhou2009
[Gaussian] 没有核磁共振屏蔽张量,所以没有自旋旋转常数? 8 (1/863) 小红花666 2020-09-03 2020-09-03 13:21:29 by paramecium86
[Gaussian] 优化轨迹 5 (1/324) 单单单1234 2020-09-02 2020-09-03 00:38:52 by paramecium86
[Gaussian] IRC路径 5 (4/1111) 单单单1234 2020-09-02 2020-09-02 15:42:43 by 单单单1234
[量化图形 ] 求助蓝磷blue phosphorus和绿磷green phosphorus的cif文件 10 (0/923) sunjie_1018 2020-08-31 2020-08-31 14:27:43 by sunjie_1018
[个人文集] 弱作用力的修正和第一性原理计算有哪些本质区别? (1/424) shuligaoshou 2020-08-30 2020-08-31 08:37:29 by 含能材料
[量化新手 ] CI和CIS方法有区别么?还是说“耦合簇方法和单电子耦合簇方法”基本是一个意思? (1/771) shuligaoshou 2020-08-29 2020-08-29 10:34:40 by paramecium86
[Gaussian] [已完结][关贴][求助]求Linux版64位Gaussian09 E01安装包 (0/422) mt13 2020-08-28 2020-08-28 19:12:02 by mt13
[量化新手 ] 请教下, 量子化学中的EOM方法,中文叫啥方法了?英文呢? (1/733) shuligaoshou 2020-08-28 2020-08-28 11:16:30 by paramecium86
[Gaussian] 【求助】Linux下安装GaussView 6.0.16 30 (4/1746) lupang139 2020-08-25 2020-08-26 22:01:17 by lupang139
[Gaussian] 求Gaussian09,gaussview window版本安装包,谢谢    ( 1 2 ) 20 (12/1859) wzypwan502 2020-05-05 2020-08-24 17:02:44 by kahfba111
[Gaussian] [关贴][求助]求windows 10系统32位的高斯09或16软件和配套的gaussview6.0.16或5.0.9 15 (0/544) mt13 2020-08-22 2020-08-22 12:00:08 by mt13
[其他] 怎么判断激发态电子组态 5 (1/1752) qqwings 2020-08-20 2020-08-21 02:22:48 by paramecium86
[Gaussian] 命令错误求助 5 (1/374) 温阿温i 2020-08-20 2020-08-20 14:30:31 by paramecium86
[Gaussian] Gaussian版权问题 10 (3/1381) wangyinran 2020-08-15 2020-08-19 16:55:33 by wbingxin2012
[Gaussian] 新人求助Linux集群下gaussian使用 50 (3/385) 海人1213 2020-08-19 2020-08-19 16:16:03 by 天天进步啊
[Gaussian] [已完结]稀土镧配合物,TD-DFT报错求助! (5/958) simiamest 2020-06-30 2020-08-18 21:45:39 by 15225685632
[Gaussian] 急求linux64 Gaussian09 E01版本 50 (4/1120) sparkhsl 2019-06-12 2020-08-18 21:44:32 by hekaiseraph
[Gaussian] 优化结构问题 5 (1/380) 单单单1234 2020-08-18 2020-08-18 20:52:20 by paramecium86
[Gaussian] [已完结]Gaussian模拟表面增强拉曼光谱 (6/1346) razasky 2019-08-22 2020-08-16 07:54:00 by 主角
[Gaussian] gaussview转动二面角 8 (1/434) ljh06 2020-08-15 2020-08-15 11:11:47 by paramecium86
[Gaussian] [已完结]重求g16或者g09 D01,前一个帖子只找到B01 (8/1315) notany 2020-02-17 2020-08-14 08:54:18 by fineren
[Gaussian] 铂催化的氢化加成反应过渡态计算 20 (4/815) Fieen 2020-08-12 2020-08-13 16:40:45 by Fieen
[Gaussian] 求教高斯 5 (3/1256) 良家少年! 2020-08-13 2020-08-13 15:31:11 by paramecium86
[量化图形 ] Origin软件安装哪个版本比较好用 10 (0/1653) 帅帅在路上 2020-08-12 2020-08-12 09:48:19 by 帅帅在路上
[Gaussian] [已完结]求助Gaussian09计算HOMO-LUMO 和 三重态,单重态 △E ST (8/1497) zzyuss 2020-08-10 2020-08-11 15:50:32 by zzyuss
[Gaussian] [已完结][关贴]求Linux版Gaussian 16安装包,非常感谢 (0/1289) 护发专家 2020-08-11 2020-08-11 12:16:44 by 护发专家
[Gaussian] Linux系统Gaussian教程    ( 1 2 ) 10 (10/1180) 悸愀忆 2020-07-04 2020-08-11 12:02:42 by lyl453433939
[其他] [已完结][关贴]求windows系统的GaussView5 (0/269) 何吟 2020-08-10 2020-08-10 18:08:56 by 何吟
[量化新手 ] 求Origin软件安装包及使用教程 50 (1/322) 帅帅在路上 2020-08-10 2020-08-10 16:32:40 by 呆子磊
[Gaussian] [已完结][关贴]求高斯view 6.0安装包及安装使用教程 (0/488) 帅帅在路上 2020-08-10 2020-08-10 15:35:28 by 帅帅在路上
[Gaussian] 求大神指导高斯 10 (3/760) 良家少年! 2020-08-09 2020-08-10 11:42:01 by paramecium86
[Gaussian] 求助怎么计算S1和T1的能量差 5 (1/1469) li444169778 2020-08-09 2020-08-09 04:52:30 by paramecium86
[Gaussian] 多谢帮忙!!!钾离子体积计算求助 50 (2/548) 浅暄深默 2020-08-05 2020-08-07 15:04:39 by 浅暄深默
[Multiwfn] 计算氢键作用 10 (2/660) 0630cxw123 2020-07-24 2020-08-07 12:31:06 by spectorno11
[其他] nist数据库使用查询 50 (1/10845) 一时花开11 2018-06-09 2020-08-07 08:31:21 by pengyizhou
[Gaussian] 麻烦帮忙计算下 15 (1/313) mayaoling 2020-08-07 2020-08-07 07:15:26 by mayaoling
[Gaussian] [已完结]计算出错 (4/396) mayaoling 2020-08-05 2020-08-06 18:22:05 by mayaoling
[SAPT/AO ] (PSI4下载)PSI4-1.3.2-py36-Linux-64位安装程序下载 (评阅+10) (1/1171) muzhong242 2020-02-19 2020-08-06 16:06:53 by LiuEve
[文章故事] 量子化学综述 (5/977) 18766315007 2018-01-06 2020-08-06 08:26:34 by xuhu_11
[Gaussian] [已完结][关贴]计算时出错,被迫停止了 (3/812) mayaoling 2020-08-05 2020-08-05 23:10:04 by paramecium86
[其他] 求助实验的CD数据是txt文本文档格式的 4 (1/271) mayaoling 2020-08-05 2020-08-05 05:41:48 by hollya
[Gaussian] [已完结]求助计算ECD时 (4/634) mayaoling 2020-08-04 2020-08-04 17:22:50 by mayaoling
[Gaussian] [已完结]请问高斯组合方法如何跳过结构优化这一步 (4/808) 护发专家 2020-08-02 2020-08-04 14:21:30 by 护发专家
[其他] [已完结]麻烦问下做ECD计算时 (1/328) mayaoling 2020-08-04 2020-08-04 12:36:55 by paramecium86
[Gaussian] [已完结]计算时家里停电了 (1/398) 发亮浓密 2020-08-04 2020-08-04 08:29:16 by paramecium86
[其他] 求助homo-lumo能带隙测量和计算方法 5 (4/1158) 17314358965 2020-07-17 2020-08-04 08:26:48 by 17314358965
[Gaussian] 算能量转移,输入文件中oniom和EET关键词怎么写? 10 (1/798) youxx189 2020-07-29 2020-07-31 14:15:57 by youxx189
[Gaussian] 计算超精细耦合常数 16 (4/1159) 1259483770 2020-07-07 2020-07-31 10:05:06 by PDMS薄膜
[Gaussian] 求助Exporing Chemistry With Electronic Structure Methods 20 (1/348) Peter Lee 2020-07-30 2020-07-30 21:30:33 by paramecium86
[量化新手 ] 求高人指点DFT模拟反应机理    ( 1 2 3 4 ) 25 (39/5226) 15645016370 2019-03-23 2020-07-30 17:06:23 by zhaojiang427
[Gaussian] [已完结]求Gaussian09,gaussview window版本安装包    ( 1 2 ) (13/2093) 可米kemi 2020-03-22 2020-07-30 07:25:46 by 荆棘路上
[Gaussian] 国内高校老师自己开发的科学程序进行汇总介绍, 10 (1/497) wangya 2020-07-29 2020-07-29 18:12:12 by 茕茕恭煮
[Gaussian] [已完结]审稿人要计算荧光探针的吸收和发射,小白前来求助,能帮忙必重谢!!!! (1/436) 落叶幽阶 2020-07-29 2020-07-29 09:44:03 by linzhongaiguo
[Gaussian] 在算能量转移时,.log文件报错,请教一下如何改 10 (0/424) youxx189 2020-07-28 2020-07-28 18:39:18 by youxx189
[其他] 【双语版】高级有机化学 A:结构和机理 (0/988) m旧时光 2020-07-28 2020-07-28 09:24:09 by m旧时光
算了3天,一个比较大的结构(分子量2300)基于S0的DFT计算报错,求助有什么办法应对? 10 (4/1035) simiamest 2020-07-23 2020-07-27 09:46:33 by 李在弦
[Gaussian] [已完结]求助高斯计算时不下心退出了, (3/803) mayaoling 2020-07-26 2020-07-27 07:54:44 by paramecium86
[Gaussian] [已完结]求助------Error termination in NtrErr 错误 (4/1397) aaq2800 2020-07-25 2020-07-26 13:07:49 by aaq2800
[量化新手 ] cp2k出现这样的报错是什么意思? (1/514) 20111891 2019-04-27 2020-07-25 19:32:05 by 小虫2223
[NBO/AIM] [已完结][关贴]求一个nbo5.0的程序,用来计算共振结构式的比例 (2/633) avatar_man 2020-07-20 2020-07-25 16:43:33 by avatar_man
[量化新手 ] [已完结][关贴]跪书量子化学计算的Spartan 14 v1.1.4软件安装包 (0/1027) 帅帅在路上 2020-07-24 2020-07-24 20:18:18 by 帅帅在路上
[Gaussian] [已完结]分子结构优化之前如何扫描 (8/1230) yangyue5678 2020-07-21 2020-07-24 20:13:06 by paramecium86
[量化新手 ] core−valence corrections核-价校正具体指什么?怎么做? 10 (0/712) 白随风 2020-07-24 2020-07-24 17:13:04 by 白随风
[Gaussian] [关贴]求Gaussian09的linux,64位安装包 (1/255) 墨菲定律00 2020-07-24 2020-07-24 08:51:09 by Tianyu189
[Gaussian] 热力学计算软件 15 (6/629) 雨后春笋! 2020-07-23 2020-07-24 08:09:46 by miaojiabing
[Gaussian] 红外光谱模拟与实验对照 (3/507) (Katy) 2020-07-22 2020-07-23 16:28:18 by (Katy)
[Gaussian] 有偿计算分子基态和激发态的电子分布 20 (3/406) 19910927 2020-07-23 2020-07-23 16:22:02 by 对影舞剑
[其他] PEDOT(不是PEDOT:PSS)的LUMO和HOMO是多少? 10 (0/678) 彩虹之约123 2020-07-23 2020-07-23 08:23:29 by 彩虹之约123
[其他] qcisd进行IRC计算时,如何输入关键词 (4/651) zhangweic 2020-07-22 2020-07-22 14:32:18 by zhangweic
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