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[热点] 售SCI一区T0P文章，我:8.O.55.1.O.54,科目齐全,可+急 FChKX8meu1ds 2026-11-12 刚刚
[Gaussian] 讨论一下bp86方法。 (6/5039) chunhui201 2012-03-26 2012-12-24 10:30:16 by wangf44
[Gaussian] [已完结]自由基反应 (5/713) lei234 2012-12-18 2012-12-24 10:13:42 by lei234
[Gaussian] [已完结]关于计算Mulliken重叠布局数的问题 (2/1223) 食品工艺学 2012-12-19 2012-12-23 22:39:37 by lxhlxh052c
[Gaussian] [已完结]高斯计算时假设分子在什么温度下？ (9/2706) 日光倾城echo 2012-12-21 2012-12-23 22:11:01 by gengle
[Gaussian] [已完结]哪位有g09溶液荧光的例子发我一份。 (1/415) lplunanjing 2012-12-19 2012-12-23 21:49:57 by beefly
[Gaussian] [已完结]高斯可以计算吸附能吗？ (2/3450) liuqun 2012-12-17 2012-12-23 17:53:44 by wangsihang
[Gaussian] 【求助】化学键的重叠布居数分析 (6/3295) cailianguo 2010-08-23 2012-12-23 13:12:25 by 食品工艺学
[Gaussian] [已完结]求有b3lyp/6-31G基组红外频率校正因子的外文文献一篇 (0/523) tangzhoushuo 2012-12-13 2012-12-23 13:12:07 by tangzhoushuo
[Gaussian] [已完结]应该分析哪个原子额，可追加金币 (1/369) wynli 2012-12-19 2012-12-23 13:03:33 by 贰麻子
[Gaussian] [已完结]IRC (8/1103) lei234 2012-12-20 2012-12-23 10:03:21 by lei234
[Gaussian] [已完结]中间体和过渡态状态点 (4/1532) zhoulm338 2012-12-19 2012-12-22 22:13:04 by wangsihang
[Gaussian] [已完结]引用纯密度泛函方法M06L的写法 (2/863) ZJboy 2012-12-21 2012-12-22 20:44:30 by ZJboy
[Gaussian] [已完结]频率计算 (5/738) duweiyuan 2012-12-18 2012-12-22 18:16:17 by duweiyuan
[Gaussian] G09的使用感受 (7/1372) 唯以不永伤 2012-12-20 2012-12-22 16:33:12 by luoduoxc
[Gaussian] [已完结]过渡态搜索显示Berny optimization.再没有反应了。 (5/1577) herarysara 2011-07-11 2012-12-22 13:20:59 by 广丽杨
[Gaussian] [已完结][关贴]Gaussview5 打开多个文件闪退问题 (3/2287) G09QC 2012-12-19 2012-12-22 01:07:17 by G09QC
[Gaussian] [已完结]IRC (4/714) lmingshu 2012-12-18 2012-12-21 17:41:22 by wangsihang
[Gaussian] [已完结]International Journal of Quantum Chemistry 2013年的文章能下载吗 (4/531) exabyss916 2012-12-20 2012-12-21 13:18:54 by emilyoyang
[Gaussian] [已完结]最高占据轨道分布 Gaussian (3/1468) yanruo1990 2012-12-19 2012-12-21 10:14:12 by lingzg2007
[Gaussian] [已完结]DFT计算遇到accidental degeneracy怎么处理 (3/757) wavepku 2012-12-15 2012-12-20 13:42:21 by wangf44
[Gaussian] 一个荧光计算讨论 (5/1569) utility 2012-08-15 2012-12-20 10:46:48 by sqh929
[Gaussian] [已完结]Gaussian 03 入门教程 (1/646) wenzhang123 2012-12-19 2012-12-20 09:39:56 by 974358979
[Gaussian] G09能计算氘水吗？ (2/577) jlsdyac 2012-12-19 2012-12-20 09:09:19 by jlsdyac
[Gaussian] [已完结]G2MP2计算生成焓，误差很大，不知道是不是推算方法有问题，请高手帮忙！    ( 1 2 ) (14/2535) alexwpch 2012-12-18 2012-12-20 09:05:12 by alexwpch
[Gaussian] [已完结]高斯出错 (6/1474) wzq70402 2012-12-17 2012-12-19 22:01:24 by wang_dan1990
[Gaussian] 高斯L103错误求解释 (5/2754) Captain-Jack 2012-12-17 2012-12-19 21:59:32 by wang_dan1990
[Gaussian] [已完结]双粒子或多粒子体系的构型优化收敛很慢怎么办? (5/844) jjww0001 2012-12-18 2012-12-19 08:49:05 by jjww0001
[Gaussian] [已完结]fchk 问题 (8/1419) lei234 2012-12-17 2012-12-18 18:46:28 by lei234
[Gaussian] [已完结]请问 Gaussian03单机版现在要多少钱？ (1/506) 风雪江山乱 2012-12-17 2012-12-18 09:07:59 by jjww0001
[Gaussian] [已完结]求教分子轨道系数的计算 (3/2088) yueronly12 2012-12-16 2012-12-18 09:00:14 by zhou2009
[Gaussian] [已完结][关贴]如何做氨基酸残基稳定过渡态后的过渡态结构优化？ (3/1140) schalke 2012-12-12 2012-12-18 09:00:10 by schalke
[Gaussian] [已完结]如何根据电子密度差Δρ的cub文件定量描述某个原子在某方向的极化程度 (1/310) lmyiop 2012-12-17 2012-12-18 01:04:34 by sobereva
[Gaussian] [已完结]同样基础，不同多重度下，有的能优化，有的出现错误 (6/2000) lrenliming 2012-12-14 2012-12-18 00:40:54 by lrenliming
[Gaussian] [已完结]求助，计算旋转能垒 (1/613) loganhxl 2012-12-17 2012-12-17 23:27:58 by lzjhaoren
[Gaussian] [已完结]光催化机理计算    ( 1 2 ) (13/3322) lei234 2012-12-10 2012-12-17 21:09:04 by lei234
[Gaussian] [已完结]奇怪，优化不收敛没有告诉什么原因 (0/429) ryxiao 2012-12-17 2012-12-17 20:53:27 by ryxiao
[Gaussian] [已完结]跑高斯磁盘空间不足 (1/1128) lplunanjing 2012-12-17 2012-12-17 20:11:44 by wuy069
[Gaussian] 【求助】量子化学方法求amber力场参数 (10/2801) xinglaidor 2010-11-21 2012-12-17 15:58:46 by hyudlut
[Gaussian] [已完结]Gaussian计算出的正逆反应速率常数问题 (2/1139) zhoulm338 2012-12-13 2012-12-17 14:11:02 by wswork
[Gaussian] [已完结]新人简单问题，希望有大神解答 (4/648) sweety0807 2012-12-16 2012-12-17 13:42:36 by luosizuo
[Gaussian] [已完结]请大家指导一下苯炔这个结构用gauss view怎么画，谢谢！ (0/834) 日光倾城echo 2012-12-16 2012-12-16 19:43:45 by 日光倾城echo
[Gaussian] [已完结]如何判断物质哪个位点最容易跟另外一个分子反应 (4/1923) Forfutureto 2012-12-14 2012-12-16 18:06:58 by aywater
[Gaussian] [已完结]高斯计算分解反应时优化后的两个产物之间是否存在相互影响 (0/496) manester52 2012-12-16 2012-12-16 14:21:09 by manester52
[Gaussian] [已完结]输入文件的错误 (4/729) 铁甲威虫 2012-12-15 2012-12-16 11:54:10 by 铁甲威虫
[Gaussian] [已完结]二氟化氢离子的结构怎么画 (1/4275) liuwenfang 2012-12-11 2012-12-16 11:38:35 by huilaoshu999
[Gaussian] [已完结]过渡态 不收敛 (6/944) B612 2012-12-14 2012-12-16 10:10:13 by B612
[Gaussian] [已完结]求助苯炔的计算问题，如何计算苯炔的最优结构以及电荷密度。 (7/1798) 日光倾城echo 2012-12-13 2012-12-14 21:16:12 by 日光倾城echo
[Gaussian] [已完结]我这个输入文件对不对呀，求指教 (1/467) wynli 2012-12-13 2012-12-14 15:21:06 by ZZU2011
[Gaussian] [已完结]cub文件减法问题 (1/649) lmyiop 2012-12-14 2012-12-14 15:02:25 by zhou2009
[Gaussian] [已完结]关于高斯二阶极化率的原子单位和国际单位的转换 (1/1481) xxjiang 2012-12-13 2012-12-14 11:25:18 by exabyss916
[Gaussian] [已完结]构型优化和文献不一致怎么办？ (8/1468) wofjg2008 2012-12-11 2012-12-13 16:27:22 by fatpig8832
[Gaussian] [已完结]求助如何计算甲基苯炔的能量以及电荷密度 (0/259) 日光倾城echo 2012-12-13 2012-12-13 15:57:50 by 日光倾城echo
[Gaussian] [已完结]如何用高斯计算spin-rotation canstant? (0/647) mswang1971 2012-12-11 2012-12-13 14:14:47 by mswang1971
[Gaussian] [已完结]算反应活化能需要完全优化反应物吗？ (2/628) t13340033021 2012-12-11 2012-12-12 18:23:59 by ZZU2011
[Gaussian] [已完结]考虑溶剂化效应时出现虚频怎么办？    ( 1 2 ) (评阅-40) (14/2095) xiaowandouer 2012-12-03 2012-12-12 17:50:33 by wangsihang
[Gaussian] [已完结]【求助】6-31基组能算出构型6-311怎么都算不出来？ (4/1001) xiayan25 2012-12-10 2012-12-12 16:23:12 by ZZU2011
[Gaussian] gaussian结构优化 (2/2039) qingxueer 2012-12-12 2012-12-12 16:06:09 by wangsihang
[Gaussian] [已完结]Gaussian 报错 谢谢各位了 (3/1073) daniell251 2012-12-12 2012-12-12 10:20:28 by daniell251
[Gaussian] 理论怎么模拟Fluorescence excitation spectrum (4/623) qxd568910294 2012-10-11 2012-12-12 07:56:11 by qxd568910294
[Gaussian] [已完结]过氧键 均裂 (4/1575) yanruo1990 2012-12-10 2012-12-11 22:37:32 by huilaoshu999
[Gaussian] [已完结]反应通道 (3/689) lmingshu 2012-12-10 2012-12-11 21:43:11 by lingch1990
[Gaussian] [已完结]利用DFT计算优化分子离子，如何选择U还是Rb3lyp？ (7/1456) luosizuo 2012-12-10 2012-12-11 20:23:34 by superfcc
[Gaussian] 关于范德华校正的疑问 (4/1655) goodmood660 2012-12-08 2012-12-11 14:34:14 by su-b08
[Gaussian] 【求助】关于生成COSMO时出现的2070错误 (6/2672) happyfly1786 2010-07-16 2012-12-11 10:42:59 by lihb734
[Gaussian] [已完结]如何在gaussian view03中画一中虚线的键？？？ (8/3428) 铁甲威虫 2012-12-10 2012-12-10 21:27:54 by luosizuo
[Gaussian] [已完结]请问这个势能面扫描文件哪错了    ( 1 2 ) (11/2215) sheandliwei 2012-12-05 2012-12-10 20:13:36 by sheandliwei
[Gaussian] [已完结]势能面扫描 (6/912) weilikang 2012-11-27 2012-12-10 14:03:33 by luosizuo
[Gaussian] [已完结]溶剂化作用对结合能的影响 (0/867) superfcc 2012-12-10 2012-12-10 11:33:28 by superfcc
[Gaussian] [已完结]如何计算溶剂对反应的影响 (1/734) liujkbenben 2012-12-06 2012-12-10 11:24:11 by superfcc
[Gaussian] [已完结]求助一篇博士论文，作者是北京师范大学的陈世稆！导师方维海 (1/940) luosizuo 2012-11-14 2012-12-09 16:57:10 by nickey910
[Gaussian] [已完结][关贴]Z-matrix中常用化学键长度 (1/635) 490105179 2012-12-08 2012-12-09 10:49:13 by t13340033021
[Gaussian] [已完结]请问高斯如何使用自己输入的基组？ (2/2443) crystal6999 2012-12-07 2012-12-09 10:46:16 by luosizuo
[Gaussian] [已完结]快疯了 用QST2算过渡态 重复N次都出错 (6/1284) tangshi141 2012-04-30 2012-12-09 07:43:23 by dai_shen844
[Gaussian] [已完结][关贴]关于得到分子波函数的问题    ( 1 2 ) (QC强帖+1)(12/3152) feynman1965 2012-11-14 2012-12-09 02:58:55 by virtualzx
[Gaussian] [已完结]求牛人解决运行报错问题    ( 1 2 ) (18/2386) sweety0807 2012-12-06 2012-12-08 20:26:39 by sweety0807
[Gaussian] [关贴]高斯里面计算得到的自旋密度 (1/680) 798879443 2012-12-07 2012-12-08 13:58:40 by t13340033021
[Gaussian] [已完结]关于内坐标的问题 (6/2133) feynman1965 2012-10-13 2012-12-08 13:11:50 by chenggong2008
[Gaussian] [已完结]gaussian的集群计算 (0/779) kent1022 2012-12-07 2012-12-08 10:01:37 by kent1022
[Gaussian] 过渡态考虑溶剂化要不要重新优化？ (0/492) t13340033021 2012-12-08 2012-12-08 10:00:49 by t13340033021
[Gaussian] [已完结]过渡态 (7/1055) B612 2012-12-05 2012-12-07 21:04:29 by ryxiao
[Gaussian] [已完结]这种复合物该怎么计算？ (5/1865) nedved33 2012-06-28 2012-12-07 18:31:05 by 喻儿在线
[Gaussian] [已完结]请问 Calculated ORD Gaussian 如何输入？ (0/378) chuchu6816 2012-12-07 2012-12-07 14:16:30 by chuchu6816
[Gaussian] [已完结]分子极化率计算求教 (2/550) emai1l 2012-12-07 2012-12-07 14:07:28 by emai1l
[Gaussian] 【求助】G03和G09中TDDFT计算激发态的不同，请大伙指点一些 (5/2040) loovfnd 2010-10-25 2012-12-07 12:20:10 by lilachi
[Gaussian] [已完结]高斯03计算的时候出现，Diagonalization in DiagDN via DSPEV failed (0/381) luosizuo 2012-12-07 2012-12-07 09:54:13 by luosizuo
[Gaussian] [已完结]下载赝势基组的使用    ( 1 2 ) (10/2627) t13340033021 2012-12-05 2012-12-06 22:55:43 by t13340033021
[Gaussian] [已完结]error in internal coordinate (1/610) wangsihang 2012-12-04 2012-12-06 22:47:10 by 半截烟洋洋
[Gaussian] [已完结]关于3MLCT的问题？ (3/1118) thonry 2012-12-04 2012-12-06 20:47:52 by lihb734
[Gaussian] [已完结]关于TD-DFT优化构型并计算频率的问题    ( 1 2 ) (12/3712) suosuosky 2012-03-07 2012-12-06 20:00:26 by zyhappy
[Gaussian] 【求助】【已完结】G09计算单重三重激发态结果分析 (19/3002) ant6165 2012-07-14 2012-12-06 16:49:25 by huilaoshu999
[Gaussian] [已完结]gaussian优化收敛问题 (2/700) celine蔡 2012-12-05 2012-12-06 15:25:38 by chhuang0802
[Gaussian] [已完结]不能提交任务 (3/961) fdyuxchn 2012-12-05 2012-12-06 12:26:02 by chembetsey
[Gaussian] [已完结]求自旋多重度的算法，请高手解答一下，急用。先谢谢了。 (2/574) wofjg2008 2012-12-06 2012-12-06 10:01:23 by wofjg2008
[Gaussian] [已完结]高斯在计算BOMD时报错，在03上计算总是错，而在09上计算没有问题。 (2/943) luosizuo 2012-12-05 2012-12-06 09:36:21 by luosizuo
[Gaussian] 【求助】请问各个原子在前线轨道中的系数怎么求？ (3/1660) 313588908 2011-01-03 2012-12-06 09:24:11 by t13340033021
[Gaussian] [已完结]高斯错误Diagonalization in DiagDN via DSPEV failed (0/1060) luosizuo 2012-12-05 2012-12-05 21:53:44 by luosizuo
[Gaussian] [已完结][关贴]大分子的静电势图的问题 (3/727) 铁甲威虫 2012-12-04 2012-12-05 20:36:32 by 铁甲威虫
[Gaussian] [已完结]急求ｃｈｅｍｏｆｆｉｃｅ　２００４ (3/680) vivi9988 2012-12-05 2012-12-05 20:28:40 by vivi9988
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