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[热点] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 Bp2O31ZPnEoI 2026-10-27 刚刚
[Gaussian] [已完结]高斯L999错误 (6/3641) 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 (3/1855) 小罗008 2014-03-05 2014-03-06 13:00:38 by 枪下游魂
[文章故事] 攒人品成功,发帖庆祝    ( 1 2 ) (评阅+1) (95/4325) yongleli 2014-01-30 2014-03-06 11:04:02 by yspowerone
[Gaussian] [已完结]振动能级之间的能量差怎么计算? (7/4953) 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 (6/1851) 易晶2013 2014-03-04 2014-03-05 23:41:53 by virtualzx
[Gaussian] [已完结]分子键能计算 (3/1233) 灬小小轩 2014-03-05 2014-03-05 20:44:11 by 灬小小轩
[Gaussian] Zn(NH3)m(H2O)n溶液中结构优化使用哪种溶剂模型效果比较好(m+n=4,5,6)? (2/559) nanlaifeng 2014-03-05 2014-03-05 20:29:40 by 血性红魔
[量化新手 ] [已完结]G3CEP方法 (4/650) 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 (2/1071) 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 (2/675) 最后的张起灵 2012-10-09 2014-03-05 18:18:35 by youyno
[Gamess/ ] [已完结]gamess (2/766) 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 (7/1683) 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 (0/909) 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? (5/1886) 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 (1/367) 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 (7/4038) lei234 2012-03-24 2014-03-05 10:31:08 by yex102350419
[Gaussian] 关于LANL2DZ加极化函数的问题    ( 1 2 ) (15/3190) zhficcas 2011-05-20 2014-03-05 06:36:08 by xiaopiner
[Gaussian] [已完结]构型优化时出错Error termination request processed by link 9999. (9/2477) 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? (1/545) THX4210 2014-03-02 2014-03-04 20:21:58 by jiewei
[Gaussian] [已完结]高斯2070错误 (2/2966) hellockh 2014-03-04 2014-03-04 20:20:34 by hellockh
[个人文集] 《范德华作用的量子化学研究(四)》 (评阅+5) (8/1752) zhou2009 2014-02-11 2014-03-04 20:11:08 by jiewei
[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 (7/1291) 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? (3/980) 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? (7/2281) 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~ (3/600) qiuqiming 2014-03-03 2014-03-03 21:55:00 by lxying
[Molpro/ ] [已完结]molpro运行出错 求助!!! (0/567) doublehs 2014-03-03 2014-03-03 14:48:26 by doublehs
[Gaussian] [已完结]有关方法和基组 (6/1566) 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 ) (11/2362) 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? (1/1194) 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 (0/471) 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! (0/3286) 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 (0/521) 154552485 2014-03-01 2014-03-03 11:10:04 by 154552485
[其他] [已完结]理论化学 (0/376) 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 (0/504) 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 (2/532) 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? (1/681) xiemeng101 2014-03-02 2014-03-02 21:14:58 by sobereva
[Gaussian] [已完结]成键类型的判断 (3/1708) xllifan 2014-03-02 2014-03-02 19:55:23 by Easony
[Gaussian] 【求助】请教关于磁耦合常数的计算 (5/1913) waterlily1715 2010-05-07 2014-03-02 11:22:48 by mengfc
[Gaussian] [已完结]有关高斯软件算能谱的关键语句恳求大神解答 (1/302) 赵奇一 2014-02-26 2014-03-02 08:11:11 by 赵奇一
[Gaussian] [已完结]b3lyp/3-21g找过渡态,用b3lyp/6-31g*优化时,就老跑偏然后成键了... (7/2146) ludeng8710 2012-02-28 2014-03-02 07:58:48 by yurivivi
[量化图形 ] [已完结]用高斯view看分子轨道图,怎么设置成网格图 (4/3362) 请小号国米与 2013-10-31 2014-03-01 08:05:30 by gaomeng12
[Gaussian] [已完结]Gaussian 输入文件中T是代表什么,知道的大神,麻烦回复打几个字,谢谢了啊! (5/1592) qinqs 2014-02-28 2014-03-01 07:06:33 by jiameiye
[其他] [已完结]MS (1/523) yang881223 2014-02-28 2014-02-28 22:52:14 by tawfischer
[Molpro/ ] [已完结]MRCI 如何指定参考态? (4/1499) sevenci5460 2014-02-27 2014-02-28 20:46:01 by sevenci5460
[量化图形 ] [已完结]请问哪位高手知道怎么从molden里面输出z-matrix形式的坐标? (1/1007) zhangyujin 2014-02-28 2014-02-28 18:26:47 by dumbgirl
[Gaussian] [已完结]L101错误 (4/1473) 赵文华110 2014-02-27 2014-02-28 18:18:11 by gengle
[量化图形 ] [已完结]gaussview5.0 使用中遇到问题 (5/1969) ivylxjlove 2014-02-26 2014-02-28 17:32:16 by ivylxjlove
[ADF/Dal ] [已完结]DMFT计算,从小体系到大体系需要做的变化 (2/1337) scpchaos 2013-02-14 2014-02-28 16:44:58 by 王凯0370
[Gaussian] [已完结]比较基组大小 (3/1659) 科学岛 2014-02-28 2014-02-28 15:58:31 by Easony
[Gaussian] [已完结]有关TD方法求电子光谱的疑惑 (5/1208) 赵奇一 2014-02-27 2014-02-28 11:48:01 by 枪下游魂
[Gaussian] [已完结]计算求助 (8/916) vikkihe 2014-02-26 2014-02-28 11:30:22 by zhou2009
[其他] [已完结]求解答:气相中的那个值怎么来的?是MS计算的吗? (4/982) xxch2010 2014-02-28 2014-02-28 11:16:18 by xxch2010
[Gaussian] [已完结]CASSCF方法可以作scan吗    ( 1 2 ) (10/2391) sand1314 2014-02-26 2014-02-28 10:34:14 by sand1314
[量化图形 ] 【求助】前线分子轨道成分分析与前线分子轨道图不一致 (8/3570) jxzhao 2011-03-24 2014-02-28 09:49:42 by jiameiye
[Gaussian] [已完结]过渡态优化出现两个虚频 (5/2268) fzliyang 2014-02-27 2014-02-28 02:02:59 by fzliyang
[个人文集] 写给自己,也写给将来 (9/1811) qinqs 2014-02-20 2014-02-27 21:25:03 by whwang55
[其他] [已完结][关贴]求计算镍酸镧LaNiO3能级的方法,最好有建议的教程或软件 (0/450) Jackandtom2 2014-02-26 2014-02-27 20:31:34 by Jackandtom2
[Gaussian] [已完结]哪位大神帮帮忙 (4/1284) langziyefeng 2014-02-26 2014-02-27 19:25:11 by langziyefeng
[量化新手 ] 【求助】走irc出现l202错误。 (2/803) 书万里 2011-04-05 2014-02-27 17:47:55 by 纸飞机草根
[Gaussian] [已完结]过渡态优化问题求助    ( 1 2 ) (13/2586) 茕茕恭煮 2014-02-25 2014-02-27 17:25:11 by 茕茕恭煮
[Gaussian] [已完结]加溶剂后计算,不收敛,请高手指点 (5/3141) ziyundl 2012-02-11 2014-02-27 11:59:09 by gaoshizhu
[Gaussian] [已完结]有关高斯算电子光谱特征的问题 (1/387) C_X_L 2014-02-27 2014-02-27 10:48:55 by beefly
[NBO/AIM] [已完结]求助关于NBO计算苯胺与叔丁胺得到的原子电荷。。。 (1/623) 1075460936 2014-02-26 2014-02-27 02:53:26 by sobereva
[Gaussian] [已完结]Gaussian view中怎样将分子模型转化为图片,以便在论文中使用? (3/1185) xuemeng111 2014-02-24 2014-02-26 22:14:19 by xuemeng111
[Gaussian] [已完结]高斯view中怎么导出UV数据中纵坐标为谐振强度 (2/528) 忧伤的小猪 2014-02-25 2014-02-26 16:43:20 by debai
[Gaussian] [已完结]GS使用过程中遇到的的一些错误,急求牛人解决! (0/268) C_X_L 2014-02-26 2014-02-26 16:22:25 by C_X_L
[量化新手 ] [已完结]不会看图,怕被导师骂    ( 1 2 ) (11/1545) 安泽华 2014-02-22 2014-02-26 13:19:25 by 安泽华
[Gaussian] [已完结]# ub3lyp/gen aim=all 中的aim=all 是计算什么用到的 (1/508) xiemeng101 2014-02-26 2014-02-26 11:31:55 by youyno
[Gaussian] [已完结]请教如何用GV画团簇的结构图,急!    ( 1 2 ) (10/2996) 赵奇一 2014-02-24 2014-02-26 09:08:08 by jiewei
[Gaussian] [已完结]BSSE校正 (5/901) 李晓绒 2014-02-25 2014-02-26 08:53:43 by lxying
[Gaussian] [已完结][关贴]Gaussian版权问题 (7/3012) gougaozhan 2014-02-16 2014-02-26 08:03:43 by qchem
[Multiwfn] [已完结]服务器上的linux版本的高斯程序,如何用SSH进行wfn文件的生成 (5/1934) youyno 2014-02-25 2014-02-26 01:32:57 by youyno
[Gaussian] [已完结]各位大神谈谈计算HOMO/LUMO能量提高速度or精度的途径吧 (1/1371) hicainiao 2014-02-25 2014-02-25 23:10:47 by 绍敏郡主
[Gaussian] [已完结]请问哪里可以计算化合物的绝对构型? (0/442) airqm7233528 2014-02-25 2014-02-25 22:59:40 by airqm7233528
[其他] 二次量子化 (2/803) andyng111 2014-02-25 2014-02-25 22:30:50 by 卡开发发
[Gaussian] [已完结]高斯计算出的紫外光谱吸收峰对应的轨道跃迁图怎么画啊 (0/350) 忧伤的小猪 2014-02-25 2014-02-25 22:07:20 by 忧伤的小猪
[Molpro/ ] [已完结]在节点上计算molcas程序意外中止怎么办 (0/391) dongwen176 2014-02-25 2014-02-25 20:41:00 by dongwen176
[其他] [已完结]高斯09运算出现103错误,已经加了opt(cartesian),还是出错,怎么办呢? (4/1755) blackesmile 2014-02-23 2014-02-25 17:51:57 by gengle
[Gaussian] [已完结]关于指令的问题 (2/577) pokai1894 2014-02-25 2014-02-25 14:47:12 by 枪下游魂
[其他] [已完结]MCTDH (0/592) szp11 2014-02-25 2014-02-25 14:37:03 by szp11
[Gaussian] 为什么说hartree fock的电子相互作用是平均 (2/1085) andyng111 2014-02-22 2014-02-25 14:28:37 by andyng111
[Gaussian] [已完结]H2键解离和Ar二聚体两个原子间的弱作用计算    ( 1 2 ) (10/2745) gmy1990 2013-09-11 2014-02-25 14:06:12 by 清新俊逸
[Gaussian] [已完结][关贴]求帮解答一个审稿人的问题,用gaussian 09结构优化,计算理论值的基本参数设置问题 (2/1629) jiqiang 2014-02-22 2014-02-24 23:10:15 by jiqiang
[其他] [已完结]怎么我CYLview出来的不是png而是pov文件呢?--求助! (2/1754) kingleaves 2013-01-13 2014-02-24 18:30:42 by ZDBWHZ
[其他] [已完结]求助何为光的相干性? (0/341) tsljs 2014-02-24 2014-02-24 18:07:50 by tsljs
[Gaussian] [已完结]请问高斯能不能计算在某种特定的气氛下的反应啊? (4/1352) fishgod 2014-02-24 2014-02-24 17:49:21 by sobereva
[Gaussian] [已完结][关贴]L103错误 (0/637) 赵文华110 2014-02-24 2014-02-24 15:38:21 by 赵文华110
[其他] [已完结]二氧化碳气体分子的长为5.1埃,宽度为3.7埃,为什么动力学直径只有3.3埃? (0/2005) zhl1987091 2014-02-24 2014-02-24 15:04:12 by zhl1987091
[Gaussian] [已完结][关贴]用高斯计算过碳谱的高手们帮忙看看! (0/1336) xiaoyang1010 2014-02-24 2014-02-24 13:11:09 by xiaoyang1010
[ADF/Dal ] AD Fwindows下可以多核运行不?怎么设置呀 (0/488) jarry@zyy 2014-02-24 2014-02-24 12:13:04 by jarry@zyy
[Gaussian] 从gview中提交任务时候,输出文件默认保存成了文本文档的格式?? 而不是log文件格式 (0/562) gx730 2014-02-24 2014-02-24 10:50:49 by gx730
[Gaussian] [已完结]【新人求教】关于文献中类似B3LYP/3-21G//B3LYP/6-31G表达的意义 (4/3126) hicainiao 2014-02-24 2014-02-24 09:44:51 by lxying
[Gaussian] [已完结]热力学参数计算 (1/1204) cpylovelove 2013-08-05 2014-02-24 05:44:31 by chuyigg
[Linux应 ] [已完结]解压g03后,在bsd文件夹下, ./install 显示没有这个文件 (2/811) nima0332 2014-02-23 2014-02-24 00:50:16 by hicainiao
[量化新手 ] [关贴]高斯输出 (7/1122) 赵文华110 2014-02-17 2014-02-23 23:27:20 by youyno
[Gaussian] [已完结]关于算激发能救助 (1/351) 左边_在左边 2014-02-23 2014-02-23 19:24:09 by 枪下游魂
[Gaussian] [已完结]b3lyp做吸附时出错 (4/865) 绝对幻想aj 2014-02-22 2014-02-23 12:55:25 by 枪下游魂
[其他] [已完结]亲 求助 (4/721) 四季牧歌22 2014-02-22 2014-02-22 21:24:10 by 四季牧歌22
[量化新手 ] [已完结]谁有南大考博的量子化学的答案,麻烦帮下忙,急! (1/527) 小乖乖~ 2014-02-20 2014-02-22 20:51:26 by hakuna
[其他] [已完结]请问哪种商业软件可以用来计算强磁场中原子性质 (2/483) hanhan1020 2013-11-13 2014-02-22 18:59:11 by 猎魔者A
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