24小时热门版块排行榜    

Znn3bq.jpeg
北京石油化工学院2026年研究生招生接收调剂公告

管理团队 (金币库 106961 充值 )

主管区长:
月只蓝小红豆
主管版主:
zhou2009paramecium86

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 专硕310求调剂 捞捞我…. 2026-04-08 刚刚
[Gaussian] [已完结]RCCSD(T)-cf文献中计算方法表达 (2/388) 雨· 2014-03-17 2014-03-18 10:54:02 by 雨·
[Gaussian] [已完结]有关ONIOM出现 (3/1744) rainyxiao 2014-01-21 2014-03-18 10:42:08 by hxqiuling
[Gaussian] [已完结]一个简单的 ONIOM 输入文件 (3/1964) hxqiuling 2014-03-17 2014-03-18 10:07:07 by hxqiuling
[Molpro/ ] [已完结]购买molpro的问题 (4/1678) kent1022 2014-03-17 2014-03-18 09:15:11 by kent1022
[Gaussian] [已完结]正辛醛肟的计算 (5/990) 十五的月牙 2014-03-16 2014-03-18 09:12:43 by 黄金比例
[Gaussian] [已完结]怎么查看Gaussian优化后文本文件中的SCF值 (3/690) 绝对幻想aj 2014-03-17 2014-03-18 07:43:02 by 枪下游魂
[Gaussian] [已完结][关贴]帮忙用导出的高岭石结构的cif文件画出用于gaussian优化的结构,紧急 (7/1667) cumt111 2014-03-16 2014-03-17 13:08:30 by cg陈
[Gaussian] [已完结]Trajectory Step Size = 0.250 sqrt(amu)*bohr什么意思? (2/583) lixiaona158 2014-03-14 2014-03-17 09:24:06 by lixiaona158
[Gaussian] [已完结]高斯输出的结果的小数点位数太少 (9/1641) 836449366 2014-03-15 2014-03-16 20:12:44 by 836449366
[量化图形 ] [已完结]谁能帮我介绍一下swizard软件,文字说明一下 (2/543) celine蔡 2014-03-15 2014-03-16 11:05:37 by celine蔡
[Gaussian] [已完结]如何能求出体系更多的轨道能级,跪求解答...    ( 1 2 ) (11/1084) 赵奇一 2014-03-15 2014-03-16 10:54:29 by 赵奇一
[Gaussian] [已完结]高斯计算出的分子能级的能量是绝对值嘛?    ( 1 2 ) (15/3548) 龙山狮崖 2013-12-12 2014-03-15 20:55:45 by 龙山狮崖
[Gaussian] [已完结]求解高斯输出结果三部分的区别 (2/470) C_X_L 2014-03-13 2014-03-15 15:35:38 by chanyu1990
[Gaussian] [已完结]gaussview打不开chem3D里的*.mol文件啊! (3/3196) 小小3161 2013-12-27 2014-03-15 13:30:12 by 小小3161
[Multiwfn] [已完结]初学Multiwfn者向大家请教,急急急。。。    ( 1 2 ) (10/1620) shuangliwang 2014-03-14 2014-03-15 13:12:30 by zhou2009
[Gaussian] [已完结]配合物键角和键长的变化该如何解释? (2/1772) nanlaifeng 2014-03-14 2014-03-14 23:57:17 by wangjun890
[Gaussian] [已完结]请问溶剂极性对分子激发态稳定性的影响怎么计算 (2/1011) diligence89 2014-03-12 2014-03-14 21:31:33 by cg陈
[Gaussian] [已完结]求基于linux系统的GAUSSIAN 03软件 (3/522) doudoucao 2011-08-31 2014-03-14 18:38:24 by lijiaqi82
[Gaussian] [已完结]用QST3找过渡态,出现L1错误 (2/756) 赵文华110 2014-03-14 2014-03-14 16:29:33 by 小虫1989
[Gaussian] [已完结]如何在Linux上导入写好的gaussian的gif文件    ( 1 2 ) (14/1602) nima0332 2014-03-12 2014-03-14 14:12:20 by nima0332
[Gaussian] [已完结]高斯计算opt+freq正确频率没有负频为什么拉曼光谱算不出    ( 1 2 ) (10/2658) cczjkd 2013-12-18 2014-03-14 12:08:24 by yypcnbe
[Gaussian] [已完结]用GS查找能态对应的角动量 (2/305) C_X_L 2014-02-18 2014-03-14 12:06:19 by 1209476778
[Gaussian] [已完结]高斯计算中的自旋和电荷有问题 (2/681) 忧伤的小猪 2014-03-06 2014-03-14 11:02:14 by 忧伤的小猪
[Turbomo ] [已完结]求ORCA的用户手册。(官网上的下不下来) (1/2435) 小李飞刀415 2014-03-14 2014-03-14 10:46:28 by lihb734
[Gaussian] [已完结]关于文献中基组的表达方式 (0/423) youyno 2014-03-13 2014-03-13 22:11:17 by youyno
[Gaussian] [已完结]刚性扫描,多次算不出来,怎么回事    ( 1 2 ) (12/1759) xiemeng101 2014-03-13 2014-03-13 21:12:19 by xiemeng101
[Gaussian] [已完结]求指点:自然键轨道分析里面稳定化能的取值问题 (1/372) lengyuye10 2014-03-12 2014-03-13 21:09:46 by lengyuye10
[量化新手 ] [已完结]求助:重组能计算原理及文献,详细点的。感谢! (0/463) gouna 2014-03-13 2014-03-13 16:48:12 by gouna
[Gaussian] [已完结][关贴]ZIndo计算吸收光谱报错求助 (0/585) gougaozhan 2014-03-13 2014-03-13 16:23:25 by gougaozhan
[量化图形 ] [已完结]求助auto dock软件模拟作图 (0/392) snakeantely 2014-03-13 2014-03-13 16:20:58 by snakeantely
[Gaussian] [已完结]在Linux运行gaussian,如何观察高斯程序正在进行运算呢?? (6/3063) nima0332 2014-03-12 2014-03-13 11:05:54 by nima0332
[Gaussian] [已完结]gaussview中看到输出结果的能量是什么能量 (3/1972) 大哏林 2014-03-12 2014-03-13 09:32:04 by 潘冠宇
[Gaussian] [已完结]标准焓 (0/295) 156128305 2014-03-13 2014-03-13 08:44:51 by 156128305
[Molpro/ ] [已完结]mrci只扫描基态是否要考虑态平均 (1/643) kent1022 2014-03-12 2014-03-12 20:34:05 by beefly
[Gaussian] [已完结]新人求助:对A+B=C+D的反应,用QST2寻找过渡态,反应物,生成物坐标该怎么创建 (6/2536) 虎毛 2012-07-19 2014-03-12 12:32:35 by 刘小伟110
[Gaussian] [已完结]EpsInf 和RSolv的数据在哪里能够得到? (1/1119) shc123456 2011-12-22 2014-03-12 07:38:01 by 幸运兔
[其他] [已完结]请教什么叫做费米拖尾效应? (1/2264) huangpan 2014-03-11 2014-03-11 22:19:57 by 卡开发发
[Gaussian] [已完结]【求问输出LOG文件过大的问题】 (1/457) 铁人火枪哥 2014-03-11 2014-03-11 18:07:07 by 枪下游魂
[Gaussian] [已完结]振动分析的精度 (3/724) agent99 2013-07-27 2014-03-11 17:31:45 by beefly
[Gaussian] [已完结]吸附能的问题,好纠结 (0/434) 能源人 2014-03-11 2014-03-11 16:55:31 by 能源人
[Gaussian] [已完结]ECD计算 (3/797) lanseyimi 2014-03-10 2014-03-11 15:50:17 by CKX
[Gaussian] [已完结][关贴]质子溶剂用什么模型较好?Radii用什么好? (0/224) liweiyi123456 2014-03-10 2014-03-11 15:47:32 by liweiyi123456
[Gaussian] [已完结]计算过渡态的一点问题-新手求教 (0/551) crazyob 2014-03-10 2014-03-11 15:46:47 by crazyob
[Gaussian] [已完结]G2方法的使用 (3/1328) 156128305 2014-03-10 2014-03-11 13:29:49 by 枪下游魂
[Gaussian] [已完结]如何标出Gauss09计算输出文件中两原子之间的距离(键长)和键角等数据?    ( 1 2 ) (11/5321) 804500719 2013-11-17 2014-03-11 12:37:35 by gouna
[Gaussian] [已完结]TS2寻找过渡态的请教 (5/1252) 小罗008 2014-03-07 2014-03-10 21:58:26 by 小罗008
[Gaussian] [已完结]优化后的键角和键长与实验值相差多少才算是合理可用的? (2/536) gouna 2014-03-08 2014-03-10 20:49:29 by gouna
[量化新手 ] [已完结]怎么写文章 (3/502) 525482838 2014-03-06 2014-03-10 16:15:33 by wangsihang
[其他] [已完结]ultraedit的使用! (1/732) vividelife 2014-03-08 2014-03-10 13:54:11 by conperint
[Gaussian] [已完结]irc 分析两端均为反应物 (7/1370) haiqin28 2011-10-28 2014-03-10 13:42:20 by 纸飞机草根
[Gaussian] [已完结]Gaussian计算红外光谱求助... (5/2121) wangluning 2011-07-18 2014-03-10 13:04:28 by limiao1024
[Gaussian] [已完结]gv是如何保存为qst2型输入文件 (2/987) 小罗008 2014-03-09 2014-03-10 08:54:32 by CelinIris
[其他] [已完结]虫友们,谢谢啦 (0/214) 雏雁孤征 2014-03-09 2014-03-09 23:02:27 by 雏雁孤征
[其他] [已完结]长单晶时总出现胶体沉淀怎么办? (3/701) duweiyuan 2013-12-20 2014-03-09 10:57:13 by 鱼之乐已矣
[量化新手 ] [已完结][关贴]小弟作业不会做 (0/362) feng6808 2014-03-08 2014-03-08 20:50:20 by feng6808
[Multiwfn] [已完结]win7的系统在调用高斯09的时候失败    ( 1 2 ) (11/2789) youyno 2014-03-08 2014-03-08 20:44:22 by youyno
[量化新手 ] [已完结]最近刚看结构化学和量子化学 (2/690) weihua497 2014-03-07 2014-03-08 20:38:50 by weihua497
[Gaussian] [已完结]CD计算基组选择,请高手指点,金币,多钱可送上。 (7/1101) huangxishan13 2014-03-05 2014-03-08 18:39:40 by huangxishan13
[Gaussian] [已完结]Stuttgart/Dresden赝势的ECP基组具体是哪个? (3/1635) nanlaifeng 2014-03-08 2014-03-08 18:05:48 by nanlaifeng
[Gaussian] [已完结]关于LANL2DZ加f极化函数的问题 (5/2276) xiaopiner 2014-03-06 2014-03-08 15:20:02 by xiaopiner
[Gaussian] [已完结][关贴]请教EDDM与CDD的区别与联系。 (0/836) gengle 2014-03-08 2014-03-08 13:13:10 by gengle
[量化图形 ] [已完结][关贴]请问有了解 ISOEFF98计算isotope effects的高手吗? (0/948) 游子8921 2014-03-08 2014-03-08 10:59:16 by 游子8921
[Gaussian] [已完结]生成焓 (3/867) 156128305 2014-03-07 2014-03-08 09:11:38 by 156128305
[Molpro/ ] [已完结]请问怎么打印J K积分 (5/942) luqing6879 2014-03-06 2014-03-07 08:08:09 by virtualzx
[Linux应 ] [已完结]orca 3.01 运行的问题 (1/673) wangpengs1 2014-03-06 2014-03-07 02:37:59 by sobereva
[Gaussian] [已完结]Counterpoise计算的输入文件怎么编? (1/636) ylm1507 2014-03-06 2014-03-07 00:57:19 by brighttime
[Gaussian] [已完结]溶剂化自由能 (8/2485) luyang_982 2014-03-04 2014-03-06 15:32:50 by luyang_982
[Gaussian] [已完结]高斯L999错误 (6/3387) 赵文华110 2014-03-05 2014-03-06 13:18:46 by 枪下游魂
[Gaussian] [已完结]高斯计算结果询问 (3/1538) 小罗008 2014-03-05 2014-03-06 13:00:38 by 枪下游魂
[Gaussian] [已完结]振动能级之间的能量差怎么计算? (7/4514) zhangyujin 2014-03-04 2014-03-06 08:27:33 by zhangyujin
[Gaussian] [已完结]光解产生 电子激发态的 降解势能面的问题 (6/1592) 易晶2013 2014-03-04 2014-03-05 23:41:53 by virtualzx
[Gaussian] [已完结]分子键能计算 (3/1119) 灬小小轩 2014-03-05 2014-03-05 20:44:11 by 灬小小轩
[量化新手 ] [已完结]G3CEP方法 (4/548) hp713747 2014-02-26 2014-03-05 20:27:51 by hp713747
[Gaussian] [已完结]Gaussian计算NBO布居数反转是什么意思 (2/953) cpylovelove 2014-03-04 2014-03-05 19:35:51 by cpylovelove
[Gaussian] [已完结]关于G03基组查询问题 ANO6532 (2/594) 最后的张起灵 2012-10-09 2014-03-05 18:18:35 by youyno
[Gamess/ ] [已完结]gamess (2/687) zhuzunwei 2014-03-05 2014-03-05 14:58:20 by zhuzunwei
[量化新手 ] [已完结]优化+频率计算的问题 (7/1479) chanyu1990 2014-03-04 2014-03-05 14:41:10 by chanyu1990
[量化新手 ] [已完结]sublevel和substate概念解释 (0/850) oyezzy 2014-03-05 2014-03-05 14:37:26 by oyezzy
[Gaussian] [已完结]如何对于第五周期以上的元素使用全电子基组? (5/1673) youyno 2014-03-05 2014-03-05 11:14:49 by 枪下游魂
[量化新手 ] [已完结]求助帮忙下一篇文章 (1/306) 小瑞兔 2014-03-05 2014-03-05 11:05:31 by 枪下游魂
[Gaussian] [已完结]有关高斯算晶体的 (7/3491) lei234 2012-03-24 2014-03-05 10:31:08 by yex102350419
[Gaussian] [已完结]构型优化时出错Error termination request processed by link 9999. (9/2022) wf900828 2014-02-27 2014-03-04 22:48:58 by z2xw56
[Gaussian] [已完结][关贴]一个配合物的低波段拉曼光谱可以用软件预测吗? (1/491) THX4210 2014-03-02 2014-03-04 20:21:58 by jiewei
[Gaussian] [已完结]高斯2070错误 (2/2826) hellockh 2014-03-04 2014-03-04 20:20:34 by hellockh
[Gaussian] [已完结][关贴]高斯进行一些有机物和配合物的紫外可见光谱解析的求助 (7/1032) anmin0127 2013-12-25 2014-03-04 19:27:28 by anmin0127
[Linux应 ] [已完结]怎样使用Linux脚本将文件名改短? (3/795) 836449366 2014-03-03 2014-03-03 23:03:25 by dofine
[Multiwfn] [已完结]做电子密度差图时如何选择差分对象并进行分析? (7/2001) youyno 2014-03-01 2014-03-03 21:59:44 by sobereva
[Gaussian] [已完结][关贴]电脑不行,谁能帮忙算一算这四个化合物在0-100cm-1的Roman光谱~ (3/469) qiuqiming 2014-03-03 2014-03-03 21:55:00 by lxying
[Molpro/ ] [已完结]molpro运行出错 求助!!! (0/531) doublehs 2014-03-03 2014-03-03 14:48:26 by doublehs
[Gaussian] [已完结]有关方法和基组 (6/1322) C_X_L 2014-02-24 2014-03-03 14:12:32 by C_X_L
[Gaussian] [已完结]悬赏求GaussView 5.0.9 for Linux 64位    ( 1 2 ) (11/2152) chr0247 2014-02-26 2014-03-03 12:23:21 by qchem
[Gaussian] [已完结][关贴]如何用Chemoffice内置的Gaussian预测某一波段的红外? (1/1122) qiuqiming 2014-03-03 2014-03-03 11:12:59 by jyzhao1981
[Gaussian] [已完结]本人计算小白一坨,大侠请进:高斯计算位点 (0/430) 钓猫的小鱼 2014-02-28 2014-03-03 11:11:36 by 钓猫的小鱼
[Gaussian] [已完结]高斯优化至l502连续出现5个restarting incremental fock formation! (0/3242) madelineli 2014-03-01 2014-03-03 11:10:23 by madelineli
[Gaussian] [已完结]关于过渡态的Hinderedrotor计算出错问题 (0/473) 154552485 2014-03-01 2014-03-03 11:10:04 by 154552485
[其他] [已完结]理论化学 (0/338) 不玩了真累 2014-03-01 2014-03-03 11:09:18 by 不玩了真累
[量化图形 ] [已完结]molcas gv 问题 (0/439) yqzhang6518 2014-03-03 2014-03-03 11:08:00 by yqzhang6518
[量化新手 ] [已完结]关于G3MP2方法中ZPE的矫正 (2/427) hp713747 2014-02-27 2014-03-03 09:28:10 by hp713747
[Multiwfn] [已完结]怎样做一个大分子的其中某一个原子的静电势图? (1/616) xiemeng101 2014-03-02 2014-03-02 21:14:58 by sobereva
[Gaussian] [已完结]成键类型的判断 (3/1417) xllifan 2014-03-02 2014-03-02 19:55:23 by Easony
相关版块跳转
查看