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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] 305求调剂 RuiFairyrui 2026-03-31 刚刚
[Gaussian] [已完结]求助gaussian 校正因子的问题 (2/1189) WJ581692 2014-09-12 2014-09-12 21:35:03 by WJ581692
[Gaussian] [已完结]求助一个高斯计算问题 (7/1203) WJ581692 2014-09-09 2014-09-12 19:09:16 by WJ581692
[Gaussian] [已完结]一个四原子自由基COONa怎么也优化不出来了!!!!!    ( 1 2 ) (17/1364) yangmou 2014-09-09 2014-09-12 18:48:07 by yangmou
[Gaussian] [已完结]nonequilibrium version of the C-PCM (3/446) tandz 2014-09-09 2014-09-12 11:04:29 by lihb734
[Gaussian] [已完结]稀土元素用什么算法好? (1/368) 1334590579 2014-09-11 2014-09-12 11:02:23 by kjsun
[Gaussian] [已完结]关于电荷和自旋多重度的问题 (7/5417) ldzh0531 2012-03-17 2014-09-12 07:21:59 by 杨韫13
[Gaussian] [已完结]高斯计算的问题    ( 1 2 ) (11/1515) 331268942 2014-09-05 2014-09-11 14:34:05 by 枪下游魂
[Gaussian] [已完结]含双键二面角,柔性扫描势能曲线,计算到一半就出错(gaussian) (8/3011) 豆豆sk8 2014-04-02 2014-09-11 13:42:24 by ficlerlin
[Gaussian] [已完结]请教高人,如何用gaussian计算一下水溶液中鞣质分子与壳聚糖分子之间的相互作用力?? (0/305) anqingpingle 2014-09-11 2014-09-11 11:24:21 by anqingpingle
[Gaussian] 高斯可以算锌与氨的配合物性质吗?求指导 (7/1376) 一直在纠结 2014-09-04 2014-09-11 08:31:23 by 一直在纠结
[Gaussian] [已完结]求助主客体包结过程:A+B--->AB的结合能,加入bsse校正计算 (3/683) 蠢蠢欲动 2014-09-09 2014-09-11 00:41:12 by lg28747
[Gaussian] 怎样计算激发态之间的跃迁偶极距? (4/968) 小范范1989 2014-09-09 2014-09-10 16:46:20 by 小范范1989
[Gaussian] 关于s1优化的问题。望大家讨论一下 (8/2826) 小范范1989 2014-09-04 2014-09-10 16:11:46 by 小范范1989
[Gaussian] [已完结]gaussianview 构建 氨基酸多肽 的大神请进! (0/683) whozing 2014-09-10 2014-09-10 15:48:50 by whozing
[Gaussian] [已完结]计算后有一个问题请教 (5/785) 大哏林 2014-09-04 2014-09-10 08:47:07 by jiewei
[Gaussian] [已完结]cp2k (3/1337) 李晓绒 2013-10-25 2014-09-10 07:52:05 by 杨韫13
[Gaussian] 宽范围燃烧反应动力学 (2/442) jingfuqiang 2014-09-04 2014-09-09 16:44:43 by jingfuqiang
[Gaussian] 燃料与燃烧化学 (8/1067) jingfuqiang 2014-09-04 2014-09-09 16:43:34 by jingfuqiang
[Gaussian] [已完结]请问gaussian可以计算NMR是C的,有办法计算N-NMR吗? (4/1109) xiaoma541 2014-09-07 2014-09-09 15:00:50 by 飞行鸟
[Gaussian] [已完结]用高斯模拟的NMR,谱图是不是只有那种条形的?没有试验一样的波峰图么? (6/1623) 呆呆天下 2013-04-16 2014-09-09 13:16:54 by 阡陌蔓
[Gaussian] [已完结]求助:chk转化fchk时出现错误 (1/309) gao4595052 2014-09-09 2014-09-09 11:01:40 by 建建爱乖乖
[Gaussian] [已完结]分子解离scan (3/558) yangmou 2014-09-01 2014-09-09 03:06:43 by yongleli
[Gaussian] [已完结]反应势能面中势垒为正,计算反应速率拟合出来的活化能为负,急求解释! (3/1349) Tracyxi 2014-09-04 2014-09-09 00:48:22 by yongleli
[Gaussian] [已完结]如何用Gaussview画工具栏环模板里没有的环 (1/2314) 胡人7081 2014-09-06 2014-09-08 09:55:46 by lg28747
[Gaussian] [已完结]RRKM软件求助 (1/1174) 学员pV7Kye 2013-11-29 2014-09-08 08:24:09 by arsc
[Gaussian] [已完结][关贴]高斯程序崩溃 (3/645) 阿克飞顿 2014-09-05 2014-09-08 08:06:33 by 阿克飞顿
[Gaussian] [已完结]求gaussian09 d01 linda版 (2/761) gauss98 2014-08-12 2014-09-07 21:42:02 by ter20
[Gaussian] [已完结]Gaussian计算输出文件的问题 (1/668) fengshiquan 2014-09-07 2014-09-07 17:41:21 by zhou2009
[Gaussian] [已完结][关贴]请教二价金属锌离子及其配合物的单点能计算问题 (9/2459) sl640 2014-09-05 2014-09-06 16:45:18 by sl640
[Gaussian] [已完结]一个小分子在20个原子以下的金属团簇上的解离--高斯能做吗? (1/414) wjwang123 2014-09-06 2014-09-06 16:12:19 by fubest
[Gaussian] [已完结]GaussianView中有三种组氨酸(His)结构式,怎么选择?三个的区别是什么? (1/2161) whozing 2014-09-05 2014-09-06 10:48:46 by sobereva
[Gaussian] [已完结]分子内氢键键能可以算吗? (2/1292) qchem 2014-09-05 2014-09-06 10:17:16 by magicmonk
[Gaussian] [已完结]高斯建模,氧自由基的问题 (3/1352) 123just 2014-09-04 2014-09-05 13:57:13 by 123just
[Gaussian] [已完结][关贴]求荧光发射谱图怎么画? (2/822) 527875531 2014-09-02 2014-09-05 08:40:59 by 527875531
[Gaussian] [已完结]溶剂化能的计算 (0/557) appletree 2014-09-04 2014-09-04 20:52:19 by appletree
[Gaussian] [已完结]计算形成能 (0/569) liuqun 2014-09-04 2014-09-04 20:02:59 by liuqun
[Gaussian] [已完结]大家计算键能,是用“焓”么? (4/1325) crosschannel 2014-08-31 2014-09-04 09:00:05 by dai_shen844
[Gaussian] 关于不同版本高撕 计算的问题 (3/647) 111222000 2012-09-13 2014-09-04 07:49:22 by newsong1900
[Gaussian] Gaussian 09运行结果显示不全 (9/1236) mytangsci 2014-08-31 2014-09-03 19:41:40 by mytangsci
[Gaussian] [已完结]请问下高斯输出结果中这种错误如何解决    ( 1 2 ) (16/1728) aioroslove 2014-08-24 2014-09-03 18:23:31 by hairan
[Gaussian] [已完结]量化计算金属团簇的研究 (0/1092) NJHGfeng 2014-09-03 2014-09-03 09:49:13 by NJHGfeng
[Gaussian] 请问,大家有做燃烧化学计算的吗? 都在做什么体系? (2/379) jingfuqiang 2014-09-02 2014-09-03 08:08:06 by 阿Q~~
[Gaussian] [已完结]roa计算是不是要cphf关键词 (0/852) scq123 2014-09-02 2014-09-02 16:08:21 by scq123
[Gaussian] about the scalar relativistic effect caused by heavy Br atom (3/557) wuhua5555 2014-08-30 2014-09-02 09:35:32 by yongleli
[Gaussian] 【原创】关于中科院超级计算中心计算申请和费用 (6/2930) Miracle922 2011-01-22 2014-09-01 08:43:40 by qdykswang
[Gaussian] 请问如何用Gaussian 09做科研? (0/409) mytangsci 2014-08-31 2014-08-31 17:22:28 by mytangsci
[Gaussian] [已完结][关贴]高斯出现Error: hangup的错误 (2/2391) szhshuan 2014-08-31 2014-08-31 11:55:43 by szhshuan
[Gaussian] [已完结]羟基进攻化合物的IRC分析 出错 (7/1927) 21018060 2011-07-12 2014-08-31 07:42:07 by 复归于海
[Gaussian] GAUSSVIEW看轨道 (3/1472) donghua1984 2014-08-28 2014-08-30 17:43:09 by donghua1984
[Gaussian] [已完结][关贴]差分电荷密度图怎么弄 (1/1526) yex102350419 2014-08-30 2014-08-30 17:07:29 by zhou2009
[Gaussian] [已完结]能在考虑溶剂化效应下对分子的频率进行计算吗? (5/974) xiemeng101 2014-08-29 2014-08-30 15:13:28 by dai_shen844
[Gaussian] [已完结]求Gaussian 09 windows版,急,谢谢!! (6/1626) zhangmao511 2014-08-09 2014-08-29 17:57:47 by mytangsci
[Gaussian] 请问Static Correlation Error怎么求?审稿人问误差有多大 (1/445) chordsword 2014-08-29 2014-08-29 17:17:06 by chordsword
[Gaussian] [已完结]请教大家一个简单的gaussian问题 (2/541) lastzealot 2014-08-29 2014-08-29 10:20:03 by 小范范1989
[Gaussian] [已完结]求VKLab软件 (4/1422) liangshash 2012-10-22 2014-08-29 06:02:18 by iamlongwei
[Gaussian] [已完结]小白求助关于含有混合基组的计算扫描势能面的问题    ( 1 2 ) (11/1410) zcdzyf 2014-08-15 2014-08-28 13:05:05 by xzhfood
[Gaussian] 老外视频-弗兰克—康顿计算 (9/1612) xzhfood 2014-08-25 2014-08-28 10:34:18 by alick1102
[Gaussian] [已完结]求解:反应中能垒大小及个数影响反应的程度    ( 1 2 ) (13/2877) liujodan 2011-06-24 2014-08-28 10:05:03 by yuyi2009
[Gaussian] [已完结]bsse校正 massage bq cp 不同的原因 (1/455) slay3 2012-02-28 2014-08-28 08:46:32 by yangxing0827
[Gaussian] 中国科学院的超算中心算高斯,大家用的怎样? (2/1821) xwnail2003 2014-08-26 2014-08-27 10:23:58 by bluewhale
[Gaussian] [已完结]不同环境下原子半径的确定 (0/457) yangyan19890 2014-08-27 2014-08-27 09:09:12 by yangyan19890
[Gaussian] [已完结]稀土元素选什么基组好 (1/1022) 1334590579 2014-08-26 2014-08-27 08:08:39 by 枪下游魂
[Gaussian] [已完结][关贴]高价求助 (6/679) chiweijie 2014-08-26 2014-08-26 19:06:41 by chiweijie
[Gaussian] [已完结]IRC计算求助(延续上次的问题) (0/731) boshiyin 2014-08-26 2014-08-26 14:27:58 by boshiyin
[Gaussian] homo和lumo的问题, (0/1412) 小范范1989 2014-08-26 2014-08-26 08:16:02 by 小范范1989
[Gaussian] [已完结]烯炔类化合物计算ECD确定绝对构型。 (2/728) xzhfood 2014-08-25 2014-08-25 16:04:05 by xzhfood
[Gaussian] 【讨论】高斯运行中用showq命令看运行状况,出现的 state为:BatchHold,这是怎么回事 (6/2262) oyljw 2010-09-23 2014-08-25 11:38:30 by oyljw
[Gaussian] [已完结]Mulliken和NBO哪个更可信?另,电荷分布不代表电子云密度对吧 (4/1403) crosschannel 2014-08-24 2014-08-25 09:02:22 by zhou2009
[Gaussian] [已完结]关于用BSSE校正 计算键离能的问题 (7/1161) chanyu1990 2014-08-23 2014-08-24 17:33:55 by chanyu1990
[Gaussian] [已完结]求关于介绍泛函和基组的文献!!! (1/820) 势在必行 2014-08-23 2014-08-24 10:01:11 by 枪下游魂
[Gaussian] [已完结]高斯高手,能否帮我看下计算中止的原因。 (6/1296) xwnail2003 2014-08-22 2014-08-23 15:21:21 by xwnail2003
[Gaussian] Gaussian批处理的方法 (8/2248) mengsk 2014-08-20 2014-08-22 22:37:14 by mengsk
[Gaussian] [已完结]求助分子opt+freq后无虚频有断键    ( 1 2 ) (12/1167) Ping_NUPT 2014-07-24 2014-08-22 18:05:49 by gauss98
[Gaussian] 计算势能面3D图的讨论 (4/1258) xzhfood 2014-08-02 2014-08-22 11:40:46 by xzhfood
[Gaussian] [已完结]关于键级和AIM分析 (4/2513) 浅曳伊言 2014-08-21 2014-08-22 11:26:02 by 浅曳伊言
[Gaussian] [已完结]下载不了emsl上的基组了 (5/2664) gauss98 2014-08-19 2014-08-22 09:39:27 by oinkmasta
[Gaussian] [已完结]关于IRC只走两步问题,已尝试过一些办法仍不行 (6/1579) rainyxiao 2014-08-18 2014-08-21 16:35:14 by xiaowandouer
[Gaussian] [已完结]过渡态求助:两个原子振动的过渡态该如何寻找呢? (6/972) boshiyin 2014-08-21 2014-08-21 16:25:04 by fatpig8832
[Gaussian] [已完结]chk,fchk,log文件都有,求用Gview帮画HOMO,LUMO图,我这边总是出错,又不会分析原因 (8/1421) jiatao1207 2014-08-20 2014-08-21 14:49:18 by youyno
[Gaussian] [已完结]关于 IRC 的怪异问题,期待高手出现。    ( 1 2 ) (14/1768) xiemeng101 2014-05-31 2014-08-20 18:32:40 by yangys108
[Gaussian] [已完结][关贴]C,H,O,N,Cl中,哪个属于重原子?? (3/970) 蠢蠢欲动 2014-08-18 2014-08-20 13:00:07 by chordsword
[Gaussian] 一个分子的导电能力通过什么方法来判断?用那种软件来实现?    ( 1 2 ) (13/2053) chordsword 2014-08-18 2014-08-20 11:45:33 by chordsword
[Gaussian] [已完结]安装gaussian09w出错了,急,求助    ( 1 2 ) (15/3258) lip@swu.cn 2012-03-18 2014-08-20 08:54:34 by 灰原ai
[Gaussian] 关于离子化合物生成焓的问题 (0/828) jingetiema61 2014-08-18 2014-08-18 17:45:02 by jingetiema61
[Gaussian] 新手入门,小菜鸟一个,欢迎各位大侠们来指导    ( 1 2 ) (10/1247) lastzealot 2014-08-15 2014-08-18 08:16:17 by 枪下游魂
[Gaussian] [已完结]求大侠分析指导 B3LYP与 B3LYP-D3计算催化剂的精度可靠性 (5/2327) gauss98 2014-08-15 2014-08-17 14:29:56 by 卡开发发
[Gaussian] 咨询下高斯最新报价    ( 1 2 ) (19/1421) 刘欣梦 2014-08-07 2014-08-16 17:10:08 by alexwpch
[Gaussian] 【讨论】三重态与单重态的能量比较 (8/3348) bluejh 2010-10-08 2014-08-16 07:30:35 by AMolExcited
[Gaussian] [已完结]各位,谁有用过中科院的超算中心做gaussian计算,发现优化个结构很慢 (2/1078) xwnail2003 2014-08-14 2014-08-15 20:58:03 by xwnail2003
[Gaussian] [已完结]过渡态怎么也找不出来。求助这方面的“专家”。    ( 1 2 ) (15/1989) yangys108 2014-08-11 2014-08-15 20:55:01 by gauss98
[Gaussian] [已完结]哪位高手能帮小弟算一下Sr3SiO5的极化率啊!小弟万分感谢了!金币奉上@! (1/330) zhenxingDu 2014-08-13 2014-08-15 17:54:26 by 戴世杰
[Gaussian] 分享一个处理gaussian09计算较大分子频率终止的小技巧 (0/976) gauss98 2014-08-15 2014-08-15 16:03:23 by gauss98
[Gaussian] 大家有在用DFT时发现波函数不稳定的情况吗 (9/1839) aioroslove 2014-08-09 2014-08-15 12:44:48 by aioroslove
[Gaussian] [已完结]求教高斯计算多电子原子的分子轨道系数问题 (2/1663) sunzzlj 2012-10-31 2014-08-14 19:42:54 by target1
[Gaussian] [已完结]高斯小白求教。 (1/474) 猫猫守卫者 2014-08-14 2014-08-14 17:24:06 by 李加伟
[Gaussian] [已完结]请教这种图是怎么得到的? (9/1264) xuemeng111 2014-08-12 2014-08-14 10:05:26 by chordsword
[Gaussian] [已完结]怎样分析高斯算出的紫外光谱分析输出文件 并和实验数据作对比 (2/1491) szhshuan 2014-08-09 2014-08-14 08:20:28 by xzhfood
[Gaussian] [已完结]求助:Gaussian09电脑配置    ( 1 2 3 ) (28/4477) fwjustin 2014-08-03 2014-08-13 10:40:33 by lao7
[Gaussian] [已完结]求助:如何写两个NO分解成一个N2和O2的过渡态,和反应历程,能量变化? (3/1083) shwangjunbo 2014-08-12 2014-08-13 08:14:56 by 枪下游魂
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