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北京石油化工学院2026年研究生招生接收调剂公告

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[热点] 314求调剂 溪云珂 2026-03-29 刚刚
[Gaussian] [已完结]反应速率 计算软件的可信度 (4/1650) dingniu2 2012-06-10 2013-07-10 14:05:02 by Tracyxi
[Gaussian] [已完结]纠错 基组 (3/647) 陌上小筑 2013-07-09 2013-07-10 09:36:28 by 陌上小筑
[NBO/AIM] [已完结]用NBO如何分析体系,特别是开壳层体系,    ( 1 2 ) (11/2735) 科学岛 2013-07-08 2013-07-10 08:37:31 by 科学岛
[Gaussian] [已完结]关于BSSE的小问题。 (1/420) 半截烟洋洋 2013-07-09 2013-07-09 17:45:33 by t13340033021
[Gaussian] [已完结]谁有这篇文献啊?急用 (3/628) 忧伤的小猪 2013-07-09 2013-07-09 17:20:24 by 568286346
[Gaussian] [已完结]请问LVHF是什么?怎么找? (2/589) binhaigufan 2013-07-08 2013-07-09 14:44:40 by binhaigufan
[Gaussian] [已完结]gaussian中ONIOM计算 (1/1168) astringent 2011-10-17 2013-07-09 13:09:22 by 陈闹钟
[其他] [已完结]判断一个化学反应能否发生    ( 1 2 ) (10/2095) lmingshu 2013-07-04 2013-07-09 11:07:01 by Tracyxi
[Gaussian] [已完结]请教gaussian计算化学反应的问题 (2/2236) Gwax07 2013-05-08 2013-07-09 08:17:28 by Tracyxi
[Gamess/ ] Gamess版本问题,以及发文章是否有版权问题! (3/986) yuanwei0007 2013-07-08 2013-07-08 21:05:54 by yuanwei0007
[Gaussian] linux下运行gaussian输出文件内容出错 Entering Gaussian System,,, (7/1827) traoxin 2013-07-04 2013-07-08 14:27:18 by marson
[Gaussian] [已完结][关贴]不进行optimize就直接报错收敛失败,求解决    ( 1 2 3 ) (20/2835) LinaInverse 2013-07-04 2013-07-08 00:53:05 by LinaInverse
[Multiwfn] [已完结]关于用Multiwfn软件做电荷密度差分图遇到的一个问题 (3/2372) 弹孔 2013-07-07 2013-07-07 19:54:13 by 弹孔
[其他] [已完结]自旋极化 (1/412) 泡桐树 2013-04-22 2013-07-06 22:40:29 by yanfang2741
[Gamess/ ] [已完结]请问如何用GAMESS计算开壳层体系的GVB? (0/390) ppqq1983 2013-07-02 2013-07-06 22:38:46 by ppqq1983
[Multiwfn] [已完结]multiwfn (1/519) weilikang 2013-07-06 2013-07-06 16:28:25 by sobereva
[其他] [已完结]多篇ACS文献下载求助 (1/754) zxy964777869 2013-07-06 2013-07-06 11:02:58 by gkf高
[Multiwfn] [已完结]求助用multiwfn作电子密度图和轨道图遇到的问题 (4/1934) zheyi-1984 2013-07-05 2013-07-06 10:10:42 by zheyi-1984
[Multiwfn] [已完结]赝势基组做盆(basin)分析时多出六个;离域化分析指数(DI)结果太多,显示不全 (0/372) chaiys 2013-07-06 2013-07-06 08:47:31 by chaiys
[其他] 利用pwscf计算过渡金属氧化物的中铜元素的投影态密度,为什么得不到4p态态密度 (23/2644) wang0620 2013-06-30 2013-07-06 08:20:10 by seeforme
[Gaussian] 关于高斯热力学数据中的△Ht (7/1567) 111222000 2012-07-12 2013-07-06 06:37:12 by 156128305
[其他] [已完结]第一次投稿JPC编辑的回信 (5/2265) Gauss10086 2013-07-02 2013-07-06 01:43:50 by Gauss10086
[NBO/AIM] [已完结]不知如何下载帖子中的内容,我想得到第二章第八节关于NBO的信息 (0/237) 科学岛 2013-07-05 2013-07-05 22:30:12 by 科学岛
[Gaussian] [已完结][关贴]把 GAUSSIAN 从A02 换到了 B01 结果GV出问题了 (0/272) t13340033021 2013-07-03 2013-07-05 22:07:54 by t13340033021
[ADF/Dal ] [已完结]ADF中的Band模块能算团簇的介电常数吗,怎么设置周期性? (1/362) chengy1008 2013-07-04 2013-07-05 16:32:51 by 长风_破浪
[Gaussian] [已完结][关贴]导出gaussian 优化结果 (0/276) tcclab 2013-07-02 2013-07-05 15:32:58 by tcclab
[ADF/Dal ] [已完结]ADF如何计算旋轨耦合常数 (0/872) tangjia16888 2013-07-04 2013-07-05 15:31:53 by tangjia16888
[Gamess/ ] [已完结]pcm (0/464) Dandiana 2013-07-04 2013-07-05 15:30:26 by Dandiana
[Gaussian] [已完结]请教如何将opt时每步的能量图形化显示出来 (1/744) alexwpch 2013-07-05 2013-07-05 10:25:26 by syhu_007012
[NBO/AIM] [已完结]NBO计算中氢键的二阶微扰稳定化能大小的问题 (7/2387) wozecheng 2013-07-03 2013-07-05 09:59:57 by wozecheng
[Molpro/ ] [已完结]想请教各位前辈molpro (2/689) 何缔 2013-06-26 2013-07-05 09:48:35 by 何缔
[Gaussian] 【求助】关于用G09算溶剂化能的问题    ( 1 2 ) (17/2556) 布丁3835 2009-10-15 2013-07-05 07:08:56 by lishijunzong
[NBO/AIM] [已完结]用gaussian计算负一价离子的NBO时,输出文件中电荷显示为何为0 (7/2131) 科学岛 2013-07-03 2013-07-04 08:08:59 by 科学岛
[Gaussian] [已完结]求助:计算Franck-Condon因子的源代码及其他方法 (1/603) suosuosky 2013-07-03 2013-07-03 17:11:49 by 李涵一
[Gaussian] [已完结]求结构优化结果 (2/287) 乍遐乍迩 2013-07-03 2013-07-03 15:01:08 by t13340033021
[量化新手 ] [已完结]为什么总波函数可以分解为几个波函数相乘    ( 1 2 ) (10/2509) skysky112211 2012-10-23 2013-07-03 14:47:57 by racoon01
[文章故事] [已完结]谁有这篇文献啊,急用 (2/581) 忧伤的小猪 2013-07-02 2013-07-03 09:13:11 by 忧伤的小猪
[其他] 全部家当求助此方 (3/493) gj292 2013-07-02 2013-07-03 08:08:36 by gj292
[其他] [已完结]怎么用量化计算来预测一个分子是光敏性的或者受到磁的影响? (2/329) lj900911 2013-07-02 2013-07-03 01:07:35 by agent99
[Gaussian] [已完结]高斯极化率求解 (1/1514) lingzg2007 2013-06-22 2013-07-02 23:32:56 by ahuhu
[Gaussian] [已完结]优化总结,有木有? (0/151) 小窗夜梦 2013-07-02 2013-07-02 20:47:21 by 小窗夜梦
[Gaussian] [已完结]Gaussian 出错,算ts不迭代,直接l9999错误! (1/795) gengle 2013-07-02 2013-07-02 20:37:37 by zhangmt
[Gaussian] [已完结]急!!HOMO轨道能级计算 (3/804) xiaozufeng 2013-07-02 2013-07-02 19:32:28 by 南飞探
[量化新手 ] [已完结]thiophene on graphene theoretical research的文章 (1/263) 4212feng 2013-07-02 2013-07-02 16:19:17 by gkf高
[Gaussian] [已完结]本人新手计算晶体a-Fe2O3出错l302.exe (4/936) 峰回路转1 2013-05-11 2013-07-02 15:43:37 by 峰回路转1
[量化新手 ] [已完结]提问,新手不会用高斯,关于几何优化和寻找过渡态 (4/1175) lj900911 2013-06-06 2013-07-02 11:44:38 by stalart
[其他] [已完结]计算生成焓 (4/2322) mxhuster 2013-07-01 2013-07-02 09:56:15 by xyz7819227
[其他] [已完结]真心求助两个问题:1.波函数的正负到底表示什么?2.键的断裂与什么有关? (7/1583) 书笛话人生 2013-06-29 2013-07-01 23:26:34 by 书笛话人生
[Gaussian] [已完结]请教关于 UV光谱输入文件的 关键词 (1/633) zc311213 2013-06-26 2013-07-01 17:16:43 by 喻儿在线
[量化图形 ] [已完结]MATLAB中计算的结果如何用GUASSVIEW显示出来 (1/969) zfx9835 2013-07-01 2013-07-01 14:29:28 by t13340033021
[Gaussian] [已完结]用高斯计算液相和固体表面红外和拉曼 (1/417) tcya 2013-06-25 2013-07-01 12:52:40 by tcya
[Gaussian] [已完结]求助CD光谱计算 (7/1973) 吉米小子 2011-11-14 2013-07-01 12:06:16 by tai3936
[Gamess/ ] [已完结]一个重叠积分的求法 (1/655) oyezzy 2013-06-25 2013-07-01 11:14:44 by sobereva
[Gaussian] [已完结]UM05-2X/def2-SVP (1/1509) mingy 2013-06-25 2013-07-01 10:54:12 by sobereva
[其他] [已完结]使用内坐标优化构型的时候,其相应的梯度如何如理?? (7/869) xzz1007 2013-06-24 2013-07-01 10:44:02 by xzz1007
[Gaussian] [已完结]求高斯03linux64位软件,谢谢大家 (1/423) liulu19890608 2013-06-25 2013-07-01 10:28:41 by 568286346
[Gaussian] 设计的等键反应,大家看看哪个合理 (0/1155) 111222000 2013-06-24 2013-07-01 09:29:52 by 111222000
[Gaussian] [已完结]求linux 高斯09的软件 (0/357) bambi99 2013-06-25 2013-07-01 09:28:58 by bambi99
[Gaussian] [已完结]求指教,CP校正的出现错误怎么解决? (0/597) jiephoebe 2013-06-26 2013-07-01 08:31:36 by jiephoebe
[其他] [已完结]CeO2 氧空穴 (0/632) 小李豆豆 2013-06-26 2013-07-01 08:28:37 by 小李豆豆
[其他] [已完结]求助:关于内坐标优化结构时,梯度转化的问题 (0/354) xzz1007 2013-06-27 2013-07-01 08:27:03 by xzz1007
[量化图形 ] [已完结]分子生成密度差分析 (7/1708) 768805354 2013-06-19 2013-07-01 08:01:15 by 768805354
[Multiwfn] [已完结]multiwfn里的哪些功能可以对NBO生成的.xx文件使用? (7/1817) klaus1987 2013-06-27 2013-06-30 18:05:25 by klaus1987
[Multiwfn] [已完结][关贴]Multiwfn 3.0下载 (1/783) mscic 2013-06-30 2013-06-30 16:55:49 by mscic
[其他] [已完结][关贴]高斯计算log文件中 力增大怎么办? (3/600) 李路lulu 2013-06-30 2013-06-30 16:12:40 by 李路lulu
[Gaussian] [已完结]反应能垒 (6/1479) huilaoshu999 2013-06-30 2013-06-30 15:54:05 by t13340033021
[Gaussian] [已完结]求助g03-E01-64bit_for_linux.gz下载,坛子里115网盘无法下载 (1/492) schalke 2013-06-27 2013-06-29 19:45:29 by 568286346
[Molpro/ ] [已完结]RASSI耦合结果怎么分析 (1/609) xokcsgy 2013-06-02 2013-06-29 17:14:53 by dongwen176
[Molpro/ ] [已完结]请教molcas中rasscf模块的ciroot的选择问题 (2/929) faigor 2013-05-17 2013-06-29 17:08:49 by dongwen176
[Gaussian] [已完结]MP2与B3LYP计算的过渡态的虚频比较 (1/602) wang.zhou 2013-06-28 2013-06-29 13:22:10 by 568286346
[量化新手 ] 请推荐关于量子化学的科普读物 (13/2525) zhouxu1986 2012-01-19 2013-06-28 16:47:05 by yuankanxue
[Gaussian] [已完结]用modredundant限定原子距离错误 (7/1186) mcv 2013-06-27 2013-06-28 15:05:18 by mcv
[Gaussian] [已完结]高斯计算.chk文件出错 (9/2381) 小樊子 2013-06-25 2013-06-28 12:37:10 by 小樊子
[Gaussian] [已完结]为何用TD-DFT算出的UV谱的吸收波长出现负值? (1/587) ter20 2013-06-28 2013-06-28 12:25:58 by yanrding
[ADF/Dal ] [已完结]求助如何用ADF计算自旋轨道耦合常数 (1/1073) bingdieduwu 2013-06-11 2013-06-28 09:01:43 by tangjia16888
[Gamess/ ] [已完结]求助一个gamess linux下的批处理脚本 (1/537) Clickerxxx 2013-06-27 2013-06-27 21:15:33 by jerkwin
[文章故事] [已完结]各位大侠,谁有这两篇文章啊?跪求啊 (评阅-2) (2/552) 忧伤的小猪 2013-06-27 2013-06-27 14:59:03 by 忧伤的小猪
[Gamess/ ] [已完结]求解GAMESS为啥这么慢。。。 (4/1256) 亍寞 2013-06-27 2013-06-27 13:34:47 by 亍寞
[Gaussian] [已完结]请问极化率(Polarizability)的大小能解释什么物理意义?    ( 1 2 ) (15/8019) LuPeng5366 2011-04-19 2013-06-27 13:29:27 by wang_h
[量化新手 ] [已完结]谁来解答一下周公度的《结构化学基础》第4版 第1章 最后一道习题1.23的答案 (9/5333) luckyworm 2013-06-23 2013-06-27 11:05:29 by oyezzy
[Gaussian] [已完结]请教G03w和G09w内存设置计算出错问题,谢谢! (3/827) sydtyx 2013-06-26 2013-06-27 09:11:33 by stalart
[量化新手 ] [已完结]JACS后的coordinates for calculated geometries (1/522) zxhuaxue 2013-06-25 2013-06-26 21:49:12 by marson
[Gaussian] [已完结]Gaussian输入文件含义 (4/2480) 落花飞雪 2013-06-21 2013-06-26 21:18:04 by yypcnbe
[Gaussian] [已完结]高斯中的分子轨道MO,NBO计算,以及电子云密度,电子云密度差计算的一些疑问 (6/7833) zheyi-1984 2013-06-25 2013-06-26 16:04:47 by sobereva
[Gaussian] [已完结]如何判断分子因共轭产生的稳定性 (3/2501) thelight 2013-06-17 2013-06-26 10:41:54 by thelight
[Gaussian] [已完结]alter改变轨道电子密度分布问题 (1/488) lixiaona158 2013-06-25 2013-06-26 09:37:29 by lixiaona158
[Gaussian] [已完结]Gaussian优化问题 (3/443) 担担面cqnu 2013-06-24 2013-06-26 08:11:31 by stalart
[Gaussian] [已完结]模拟计算紫外光谱时,审稿人的关于温度的问题,我问一下.    ( 1 2 ) (13/1637) zhficcas 2012-11-06 2013-06-26 07:38:33 by zc311213
[Gaussian] [已完结]高斯计算中金属离子与氯苯的相互作用结构优化错误    ( 1 2 ) (17/2669) alexwpch 2012-06-11 2013-06-25 21:18:41 by 大雪微蓝
[Gaussian] [已完结]谁能帮我计算一个分子的NMR啊 谢谢 (2/446) celine蔡 2013-06-25 2013-06-25 16:28:25 by celine蔡
[Gaussian] [已完结]在计算过渡态时出现了Opt=TS requires force constants or ModRedundant. (2/4636) traoxin 2013-06-19 2013-06-25 15:32:12 by traoxin
[Gaussian] [已完结]QM/MM计算金属蛋白时,Gaussview无法读入与金属相连氨基酸的amber力场参数。 (6/1027) hee_csu 2013-06-18 2013-06-25 15:25:17 by hee_csu
[Gaussian] 光谱计算中的交换轨道问题 (1/475) sujialing 2013-05-22 2013-06-25 11:47:12 by lixiaona158
[文章故事] [已完结]CTC是SCI收录的吗,投稿怎么样?    ( 1 2 ) (13/1989) juan_chong 2013-06-21 2013-06-25 10:49:19 by juan_chong
[Molpro/ ] [已完结]硬盘不足问题 (2/587) mjjwhs 2013-06-11 2013-06-25 09:46:04 by mjjwhs
[Gaussian] [已完结]求助如何研究团簇稳定性 (3/592) 0502114073 2013-06-06 2013-06-25 09:17:01 by t13340033021
[Gaussian] [已完结]【请教】HF和Becke交换势物理意义的区别 (0/354) forestwolf9291 2013-06-25 2013-06-25 08:09:01 by forestwolf9291
[量化图形 ] 【讨论】origin的版权问题    ( 1 2 ) (12/2256) piaoma 2010-10-06 2013-06-25 06:09:41 by oooga
[Gaussian] [已完结]过渡态 (0/293) 568286346 2013-06-24 2013-06-24 22:05:32 by 568286346
[Linux应 ] [已完结]不能读genecp (5/1352) xjyuefan 2013-06-21 2013-06-24 21:00:09 by xjyuefan
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