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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] 265求调剂 小木虫085600 2026-03-28 刚刚
[量化图形 ] [已完结]NCI (3/892) L550347797 2014-05-29 2014-05-29 15:28:33 by L550347797
[量化新手 ] 过渡态寻找,重新优化出错 (2/929) 荒野求生 2014-02-07 2014-05-29 13:57:46 by lecai820
[量化新手 ] [已完结]formchk 出错在哪里? (3/1642) gaomingli5 2014-01-10 2014-05-29 12:13:23 by qinqs
[Gaussian] [已完结]G09计算发射时出现Convergence failure (3/1486) lzhhz 2014-05-28 2014-05-29 12:04:09 by 枪下游魂
[ADF/Dal ] [已完结][关贴]用ADF优化激发态N2分子,结果文件中如何分析电子跃迁偶极矩是多少? (2/791) 孟广昊 2014-05-28 2014-05-29 10:16:01 by 孟广昊
[Gaussian] [已完结]急求如何用高斯密度泛函法计算氧分子两种单重态的能量?急急急啊………… (0/472) ding717 2014-05-29 2014-05-29 09:47:45 by ding717
[量化新手 ] [已完结]HF方程 (5/1765) 大飞哈哈 2014-05-28 2014-05-29 09:13:05 by oyezzy
[Gaussian] [已完结]关于反应,优化,势能面,极值! (0/450) haoguoyu 2014-05-28 2014-05-28 20:46:50 by haoguoyu
[Gaussian] [已完结]作图 能量向吉布斯自由能的转化? (0/390) xiemeng101 2014-05-28 2014-05-28 17:58:39 by xiemeng101
[Gaussian] 【求助】吸收和发射光谱 (9/1661) yling10 2010-07-22 2014-05-28 17:28:32 by ztyztya
[Multiwfn] [已完结]关于使用Multiwfn计算ELF的Basin积分的问题 (6/1680) yan505256466 2014-05-27 2014-05-28 14:54:51 by yan505256466
[Gaussian] [已完结]关于做BSSE校正出现正值的问题 (4/1126) zzy5268 2014-05-27 2014-05-28 14:53:26 by 枪下游魂
[Gaussian] gG09计算荧光的问题 (7/1815) lzhhz 2014-05-26 2014-05-28 13:22:47 by ZDBWHZ
[Gaussian] [已完结]求助 (6/742) 331982764 2014-05-25 2014-05-28 12:52:59 by 331982764
[Gaussian] [已完结]G09 计算出的吸收和发射波长比实验值长    ( 1 2 ) (11/1221) lzhhz 2014-04-10 2014-05-28 12:37:28 by lzhhz
[Gaussian] [已完结]关于计算单点能的问题 (6/1992) youyno 2014-05-27 2014-05-28 12:29:00 by youyno
[Gaussian] [已完结]出现[1]+ exit 1是怎么回事?在linux上用高斯 (1/8634) crosschannel 2014-05-28 2014-05-28 08:47:16 by 枪下游魂
[Gaussian] [已完结]溶剂化(pcm模型)算氯化氢的解离能 (3/1248) 雅兰肆洁66 2013-08-05 2014-05-28 06:14:49 by 雅兰肆洁66
[Gaussian] [已完结]gaussian view 5和gaussian连用问题? (3/1566) missducksong 2014-05-27 2014-05-27 20:06:46 by missducksong
[其他] [已完结]有没有人有关于利用非线性来进行离子检测的论文呢 (0/225) gaomingli5 2014-05-27 2014-05-27 17:44:53 by gaomingli5
[Gaussian] [已完结][关贴]Gaussian下算C2H2激发能的最大吸收波长与NIST上的数值对不上? (5/884) 孟广昊 2014-05-22 2014-05-27 16:43:56 by fatpig8832
[Gaussian] [已完结]用高斯QM/MM算频率和QST3 (8/3846) lujunyan1118 2014-05-22 2014-05-27 14:38:16 by sobereva
[Gaussian] [已完结][关贴]范德华体积与摩尔体积 (3/1913) 359673645 2012-10-16 2014-05-27 12:17:13 by missducksong
[Gaussian] 【讨论】SOMO轨道和HOMO,LUMO的区别 (5/6402) CKX 2009-07-10 2014-05-27 08:28:17 by 心菲馨晨
[量化新手 ] 【转载】转载《读文献的技巧》-与量子化学无关,但是与我们每一个人都有关    ( 1 2 3 ) (评阅+2) (23/3080) yjcmwgk 2010-09-28 2014-05-27 06:16:07 by 银月之星
[Gaussian] [已完结]TD-DFT自旋多重度设置 (9/1827) aqyzgsab 2012-11-12 2014-05-27 04:04:38 by aixiaok110
[Multiwfn] [已完结]win7系统Gaussian03 制作.wfn文件时出现问题,求前辈指导!    ( 1 2 ) (10/1976) missducksong 2014-05-25 2014-05-26 21:23:15 by missducksong
[Gaussian] [已完结]求助大神帮我解决一下gaussian对分子共价键长计算的问题 (4/1462) yaomeishan 2014-05-25 2014-05-26 17:13:57 by sobereva
[量化新手 ] [已完结]能否/怎样模拟化学平衡反应? (2/555) cosmosischaos 2014-05-24 2014-05-26 06:54:32 by cosmosischaos
[Gaussian] [已完结]gauss view 计算HOMO轨道和LUMO轨道问题 (3/2092) 李红家的 2014-05-24 2014-05-25 16:18:13 by 李红家的
[Multiwfn] Multiwfn 2013年暑期培训班感想与杂谈    ( 1 2 3 4 5 ) (44/5362) sobereva 2013-09-18 2014-05-25 14:36:22 by missducksong
[Gaussian] [已完结]用QST2法找过渡态,总是出错,请高手指点一下,已贴出输入,输出文件。 (4/1093) wofjg2008 2013-07-02 2014-05-24 16:14:37 by yangys108
[量化新手 ] [已完结]向大家请教一个文献中轨道图的问题!谢谢了! (3/660) zhaoyxcas 2013-12-28 2014-05-24 12:45:34 by 绍敏郡主
[Gaussian] [已完结]关于亲核取代反应    ( 1 2 ) (12/1449) haoguoyu 2014-05-18 2014-05-24 12:42:22 by ggdh
[量化新手 ] [已完结]请问谁有夏少武的基础量子化学习题解答啊 (0/686) 此间的少年xy 2014-05-24 2014-05-24 10:38:28 by 此间的少年xy
[Gaussian] [已完结]gaussian出问题了,哪位大神能帮我算个文件啊 (6/1074) cczjkd 2014-05-18 2014-05-23 22:30:17 by cczjkd
[量化新手 ] [已完结]铁卟啉分子计算激发能出现L502错误怎么改,谢谢! (0/370) 小四黑906 2014-05-23 2014-05-23 22:11:55 by 小四黑906
[Molpro/ ] [已完结]molpro的并行和串行版本怎么看? (0/737) HSE06 2014-05-23 2014-05-23 20:03:26 by HSE06
[Gaussian] [已完结][关贴]已经计算完成的chk文件还能使用SSH进行chk到fchk的转换吗 (9/2052) anmin0127 2014-05-22 2014-05-23 15:09:22 by anmin0127
[Gaussian] [已完结]纠正自旋污染 AP procedure (0/354) haoguoyu 2014-05-23 2014-05-23 14:55:28 by haoguoyu
[量化图形 ] [已完结]如何用gaussview画contour plot of the transition density difference (0/810) tandz 2014-05-23 2014-05-23 12:38:40 by tandz
[Gaussian] [已完结]高斯计算得到的配分函数,由此得到的反应速率是零级反应吗? (0/977) traoxin 2014-05-23 2014-05-23 11:15:35 by traoxin
[Gaussian] [已完结]找过渡态总是不收敛显示l9999错误,应该怎么改求大神指教 (0/482) ygq1990 2014-05-23 2014-05-23 10:51:46 by ygq1990
[Gaussian] [已完结]化学反应过程难易评判体系 (2/627) 一直在等你 2014-05-22 2014-05-23 09:51:54 by 一直在等你
[其他] [已完结]各能量区别和意义 (0/427) baomamotuo 2014-05-22 2014-05-23 08:23:17 by baomamotuo
[Turbomo ] [已完结]如何得到electrostatic potential计算的 points的坐标呢(esppoint)? (0/881) 人生无常 2014-05-22 2014-05-23 08:21:01 by 人生无常
[其他] [已完结]多聚体如何让构造,有没有专门的软件或者网站呀? (0/312) shuangliwang 2014-05-22 2014-05-23 08:20:12 by shuangliwang
[版务] [关贴]********版主评阅线(2012年12月)***有问题PM版主*** (0/340) cenwanglai 2012-11-06 2014-05-23 08:18:43 by cenwanglai
[Gaussian] [已完结]Gaussian TDDFT 优化激发态C2H2,log文件中有6个跃迁偶极矩,怎么看? (5/1691) 孟广昊 2014-05-22 2014-05-23 07:43:26 by 枪下游魂
[Gaussian] [已完结]Gaussian问题,excessive mixing of frozen core and valence orbitals (6/2207) 121099 2013-01-02 2014-05-23 06:55:52 by 郭伟莹
[其他] [已完结]有没有网址可以查询物质的Z-坐标 (2/298) shuangliwang 2014-05-19 2014-05-22 22:47:53 by shuangliwang
[其他] [已完结]1:1的水和甲醇的介电常数是多少呢? (2/1827) caoss 2014-05-21 2014-05-22 20:46:56 by caoss
[Gaussian] 【求助】irc文件出错求助 (5/1936) dreamyeye 2011-01-14 2014-05-22 17:14:24 by castorsunqq
[其他] 【求助】关于相对论效应 (5/1845) mmjjmmjj 2010-10-28 2014-05-22 14:16:40 by sunrongwei
[Gaussian] [已完结]振动模折合质量的计算 (2/1890) 我的小名 2014-05-21 2014-05-22 09:30:45 by 我的小名
[Gaussian] [已完结]Molpro和Gaussian算cas,我该信任那一个呢? (7/2016) 我的小名 2014-05-20 2014-05-22 09:24:07 by 我的小名
[其他] 偶尔冒个泡,吐个槽 (4/781) 寒雨人生 2014-05-20 2014-05-22 01:22:50 by beefly
[Gaussian] [已完结]急求如何用高斯密度泛函法计算氧分子两种单重态的能量?急急急啊………… (0/626) ding717 2014-05-22 2014-05-22 00:58:31 by ding717
[Gaussian] [已完结][关贴]请教gaussview里面如何关闭自动添加氢啊 (0/618) lanker163com 2014-05-21 2014-05-21 20:38:42 by lanker163com
[Multiwfn] [已完结]想计算分子从基态跃迁到激发态下LUMO和HOMO电子波函数的重叠积分,说明书看糊涂了 (9/4391) 孟广昊 2014-05-20 2014-05-21 16:38:23 by 孟广昊
[其他] [已完结]用origin画红外图时选择哪个线形可以与高斯09算出来的数值最接近? (0/515) coffee1128 2014-05-21 2014-05-21 15:14:27 by coffee1128
[Gaussian] 能级差问题 (6/800) 111222000 2014-05-20 2014-05-21 12:08:23 by 绍敏郡主
[Gaussian] [已完结]关于 ECP28MWB基组的使用 (1/1095) xyj880506 2014-05-21 2014-05-21 12:06:04 by 绍敏郡主
[个人文集] 【coolrainbow个人文集】实验化学家,计算化学家和理论化学家    ( 1 2 ) (评阅+10) (QC强帖+1)(15/3089) coolrainbow 2010-07-03 2014-05-21 08:39:24 by ptf6
[Gaussian] 【求助】关于LACV3P**基组的设置 (7/3117) baiyang2000 2010-06-19 2014-05-21 08:14:25 by 怡飘的云彩
[Gaussian] [已完结]windows高斯单机版怎么算 (2/923) cczjkd 2014-05-20 2014-05-21 07:43:51 by 枪下游魂
[Gaussian] [已完结]gauss view 5.0.8 软件安装问题 (1/2759) 李红家的 2014-05-20 2014-05-20 20:07:05 by 孟广昊
[Molpro/ ] [已完结][关贴]Segmentation fault (core dumped) (0/1086) 发飙的蜗牛 2014-05-20 2014-05-20 19:55:37 by 发飙的蜗牛
[Gaussian] [已完结]溶剂化能的求解 (6/1181) 1075460936 2014-05-12 2014-05-20 15:38:18 by 1075460936
[Gaussian] [已完结]MP2、MP3以及CCSD(t)的关系问题 (1/1067) youyno 2014-05-19 2014-05-20 12:50:36 by youyno
[Gaussian] [已完结]高斯9999错误、帮忙看一下是哪里出错了。 (4/2216) 466962684 2014-05-16 2014-05-20 10:29:18 by 466962684
[量化图形 ] 【求助】这种静电势图怎么画出来的?尤其左侧的数值坐标 (4/3733) shangjing 2010-07-21 2014-05-20 08:33:18 by sobereva
[Gaussian] [已完结]优化时,CO原子黏在一起。只是结构问题么? (2/565) shaoyan177 2014-05-20 2014-05-20 01:17:53 by 绍敏郡主
[量化新手 ] [已完结]Homo和Lumo轨道图解析 (9/7096) 校尉88 2014-05-17 2014-05-19 20:44:49 by wylzlp27
[Gaussian] [已完结]关于CASSCF的一个问题 (0/1679) aioroslove 2014-05-19 2014-05-19 19:53:20 by aioroslove
[Gaussian] [已完结][关贴]wfn计算得到的波函数是分子波函数,包括振动波函数和电子波函数还是只有电子波函数? (2/737) 孟广昊 2014-05-19 2014-05-19 15:53:45 by 孟广昊
[Gaussian] [已完结]6-31G(d',p')与6-31G(d,p)是一样的吗 (1/692) 蠢蠢欲动 2014-05-19 2014-05-19 13:57:05 by sobereva
[Gaussian] [已完结]找过渡态,使用SCF=qc后,还是不收敛怎么办? (4/1156) hongsemenghuan 2014-05-19 2014-05-19 11:56:03 by 枪下游魂
[Molpro/ ] [已完结][关贴]求助4篇文献 (2/581) duanabing 2014-05-18 2014-05-19 09:10:36 by 枪下游魂
[量化新手 ] [已完结]求助 m06 菜鸟求指教 gaussian (4/1291) 小熙小7 2014-05-18 2014-05-19 08:48:35 by 小熙小7
[量化新手 ] [已完结]如何在MS的Dmol3模块下画出如下的Charge density distribution (0/640) njustflp 2014-05-18 2014-05-18 23:04:35 by njustflp
[量化新手 ] [已完结]最近激发态计算的发展 (2/338) shalene 2014-05-16 2014-05-18 22:49:52 by ztyztya
[Gaussian] 【求助】三重激发态寿命该怎么计算? (4/2286) mikerjay 2011-03-03 2014-05-18 20:12:21 by ztyztya
[量化新手 ] 【求助】预测激发态寿命    ( 1 2 3 ) (评阅+2) (20/2782) wanguangli 2010-04-29 2014-05-18 20:08:56 by ztyztya
[Gaussian] [已完结]开壳层和闭壳层计算区别 (4/4796) 晓玉儿 2014-05-16 2014-05-18 18:24:03 by jiangning198511
[Gaussian] [已完结]吸附能计算 (1/461) 能源人 2014-03-25 2014-05-18 17:13:16 by wjf12
[其他] [已完结]HinderedRotor 频率计算需要周期性信息的问题 (0/473) 左边8399 2014-05-18 2014-05-18 09:27:48 by 左边8399
[Gaussian] 【求助】紧急求助gaussview复制时出现failed to read fragment file怎么办啊? (5/1642) rongfu1937 2010-12-16 2014-05-18 06:43:13 by 小酒窝6688
[量化新手 ] [已完结]如何描述原子在表面的吸附位置 (0/318) linda19918 2014-05-17 2014-05-17 22:29:30 by linda19918
[Gaussian] [已完结]光电子能谱PES怎么模拟 (5/1974) 0502114073 2012-04-09 2014-05-17 17:46:08 by CKX
[量化新手 ] GUASS新手求教 (0/292) liaojinglun 2014-05-17 2014-05-17 10:15:21 by liaojinglun
[其他] [已完结]求能在Win7上运行的gamess或Dalton的源程序 (0/261) lucent 2014-05-17 2014-05-17 09:06:22 by lucent
[其他] [已完结]关于过渡金属d轨道的对称性 (2/1254) zhangyajiu 2014-05-16 2014-05-17 08:30:25 by ggdh
[Gaussian] [已完结]谁能帮我看看拉曼光谱怎么算啊    ( 1 2 ) (14/2010) cczjkd 2014-05-12 2014-05-16 21:14:28 by cczjkd
[Gaussian] [已完结]g09在天河安装出错 (2/690) wangjb401 2014-05-16 2014-05-16 15:39:51 by wangjb401
[其他] 外文翻译 (0/275) shayu72 2014-05-16 2014-05-16 14:45:56 by shayu72
[其他] [已完结]硝基苯各能级相互之间是电子跃迁禁阻的吗?? (1/555) jcajcazhzh 2014-05-15 2014-05-16 14:29:54 by ggdh
[Gamess/ ] [已完结]GAMESS安装中module load的问题 (1/1008) ccyykk33 2014-04-28 2014-05-16 13:53:17 by ccyykk33
[Gaussian] [已完结]TD-DFT计算结果中的一个问题 (4/894) aioroslove 2014-05-14 2014-05-16 11:49:01 by pwzhou
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