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[热点] 2024 - Redox‐Active Ligands asymmsyn 2026-02-07 刚刚
[Gaussian] [已完结]求助N-S键的力常数 (0/455) niuniu391 2012-04-20 2012-04-20 21:01:55 by niuniu391
[Gaussian] [已完结]虚频问题 (6/1592) 好人难当 2012-04-17 2012-04-20 20:42:54 by luojin7653
[Gaussian] [已完结]b3lyp/6-311+(d,p)的校正因子是多少啊？希望有相关文献，谢谢啦 (1/380) 好人难当 2012-04-19 2012-04-20 19:58:30 by 狼外婆
[Gaussian] [已完结]吸附建模问题 (1/372) landian666 2012-04-20 2012-04-20 14:11:24 by 书万里
[Gaussian] [已完结]二价Fe离子是如何负载到ZSM-5，bea分子筛上的？ (2/487) tangbaowei 2012-04-19 2012-04-20 13:31:08 by fegg7502
[Gaussian] [已完结][关贴]gauss 输出文件 (2/639) 461018249 2012-04-20 2012-04-20 10:41:39 by lihb734
[Gaussian] [已完结]求：onion model计算的引用文献！！ (1/1129) daidai~ 2012-04-19 2012-04-20 10:01:34 by gmy1990
[Gaussian] Gaussian 计算二级反应速率常数 (4/2558) FloydHeath 2012-04-18 2012-04-19 22:43:39 by FloydHeath
[Gaussian] [已完结]异构化过程半衰期怎么求啊？请求好心人帮助。 (2/248) 梦话 2012-04-19 2012-04-19 21:08:09 by 安德
[Gaussian] [已完结]link9999 (5/1884) zhujunjie123 2012-04-18 2012-04-19 20:40:43 by 一起来化学
[Gaussian] [已完结]g09 L103错误 (1/1842) dreamyeye 2012-04-19 2012-04-19 19:55:26 by lujun2910
[Gaussian] [已完结]重做时出错 (1/234) shuangliu 2012-04-19 2012-04-19 18:08:28 by shuangliu
[Gaussian] [已完结]这是怎么回事尼？ (3/629) dragon0714 2012-04-18 2012-04-19 16:57:16 by abbott
[Gaussian] [已完结][关贴]邻二氯苯(o-dichlorobenzene)的溶剂半径(solvent radius) (0/547) kathy2008 2012-04-19 2012-04-19 10:03:08 by kathy2008
[Gaussian] [已完结]问一个关于分子坐标固定的问题 (3/482) 雨晨田木 2012-04-17 2012-04-19 09:28:13 by 雨晨田木
[Gaussian] [已完结][关贴]算频率出错。 (5/1439) xiuhui 2012-04-17 2012-04-19 00:44:37 by beefly
[Gaussian] [已完结]有关于乙醇的量子化学计算 (0/298) 绿谷之草 2012-04-18 2012-04-18 18:36:02 by 绿谷之草
[Gaussian] [已完结]请问一个关于高斯计算含金属配合物轨道的问题 (0/296) zzl7337 2012-04-18 2012-04-18 18:34:58 by zzl7337
[Gaussian] 【求助】如果理论计算和实验结论相反，您会怎么办？！抓狂ing (35/3997) yjcmwgk 2011-04-12 2012-04-18 17:55:48 by showcat
[Gaussian] 【求助】tBuOH作为溶剂，在gaussian中如何输入？ (4/2382) chemlilyzhao 2010-08-25 2012-04-18 16:57:51 by showcat
[Gaussian] [已完结]大家给点建议哈 如何验证计算结果可靠性 (1/315) mu00mu8 2012-04-18 2012-04-18 15:15:22 by mu00mu8
[Gaussian] AM1优化的几何构型的可信度 (17/1442) 书万里 2012-04-12 2012-04-18 14:42:31 by 书万里
[Gaussian] [已完结]收敛判据的手动指定 (3/491) ldzh0531 2012-04-13 2012-04-18 14:36:49 by 书万里
[Gaussian] [已完结]Gaussian求解 (2/555) xllifan 2012-04-15 2012-04-18 14:19:33 by 书万里
[Gaussian] [已完结]急急急！两个分子的键能 (2/343) qingshui295 2012-04-18 2012-04-18 12:09:48 by qingshui295
[Gaussian] [已完结]有木有人能帮我运行一下啊。。就1分钟就能结束。!!!!!    ( 1 2 ) (16/1351) 为学术科研提供� 2012-04-15 2012-04-18 10:10:19 by liailong
[Gaussian] 怎样根据中间产物找过渡态？ (15/1597) duchunmei 2012-04-15 2012-04-18 09:24:27 by lixiaocat
[Gaussian] [已完结]大家好，有好心人帮我计算四个分子的homo和lumo轨道能级图吗？急需，可以支付适当费用 (4/2205) dimaxson 2012-02-03 2012-04-18 08:48:03 by haoziok
[Gaussian] [已完结]欲进行势能面扫描，但只进行了一次计算，求高手指教！ (4/834) laohengzi 2012-04-14 2012-04-17 21:50:36 by laohengzi
[Gaussian] [已完结]图形结构 (7/651) wangla 2012-03-12 2012-04-17 18:51:10 by nwwolfchj
[Gaussian] [已完结]scan扫描键长 (0/819) luyating2005 2012-04-17 2012-04-17 18:18:39 by luyating2005
[Gaussian] [已完结]乙醇脱水生成乙醚反应机理的量子化学研究 (0/2558) 绿谷之草 2012-04-17 2012-04-17 13:34:08 by 绿谷之草
[Gaussian] [已完结]计算出错 (1/274) chaowen1314 2012-04-16 2012-04-17 12:44:12 by 一起来化学
[Gaussian] [已完结]高斯紧急求助 (9/1023) 仰望黎明 2012-04-16 2012-04-17 10:54:41 by beefly
[Gaussian] [已完结]G09 TDDFT 激发态分析 (4/923) baoa9992 2012-04-12 2012-04-16 18:55:17 by baoa9992
[Gaussian] [已完结]输入文件在g09出现2070错误，而在g03下顺利计算完成，不知道为啥 (0/381) artical 2012-04-16 2012-04-16 18:06:55 by artical
[Gaussian] [已完结]请问如何在Gaussian输出文件中看振动的简正模式 (2/335) 549536348 2012-04-16 2012-04-16 15:17:57 by 549536348
[Gaussian] [已完结]加入geom=connectivity语句出错，为什么？ (7/2056) 贵在坚持 2012-04-14 2012-04-16 13:25:55 by 贵在坚持
[Gaussian] [已完结]高斯计算断键问题 (0/867) jarry@zyy 2012-04-16 2012-04-16 10:48:14 by jarry@zyy
[Gaussian] 有没有人用联想THinkCentre M8300s 作高斯计算？ (4/1137) abing_1981 2012-04-13 2012-04-16 08:36:18 by abing_1981
[Gaussian] [已完结]如何在高斯频率计算的输出文件中得到的g张量 (0/263) 华晓冉 2012-04-14 2012-04-16 08:23:21 by 华晓冉
[Gaussian] [已完结]EF方法寻找过渡态 (0/202) ldzh0531 2012-04-15 2012-04-16 06:25:50 by ldzh0531
[Gaussian] [已完结]溶剂效应 求助 (0/198) hjg9 2012-04-15 2012-04-16 06:25:13 by hjg9
[Gaussian] [已完结]对稳定性分析Stable的疑问 (0/446) liyincumt 2012-04-16 2012-04-16 06:24:51 by liyincumt
[Gaussian] [已完结]急求 电离能计算 (2/881) 我本随风 2012-04-14 2012-04-15 22:12:14 by 我本随风
[Gaussian] 生成焓计算 (1/1076) jingetiema61 2012-04-15 2012-04-15 21:51:59 by chiweijie
[Gaussian] [已完结]固定体系中的部分原子优化 (2/484) dreamyeye 2012-04-14 2012-04-15 15:24:11 by chaowen1314
[Gaussian] [已完结]Z坐标构建 (5/432) t13340033021 2012-04-14 2012-04-15 09:32:06 by lixiaocat
[Gaussian] [已完结]求助环糊精包合小分子的构象（从环糊精的哪个面进去问题）， DFT计算判断 (3/984) zyhman 2012-04-14 2012-04-14 20:27:58 by gongxd325
[Gaussian] [已完结]计算光谱出错 (4/384) 549536348 2012-04-13 2012-04-14 19:32:21 by 549536348
[Gaussian] [已完结]求问多分子体系反应焓如何计算 (1/360) LinaInverse 2012-04-07 2012-04-14 19:14:03 by lixiaocat
[Gaussian] [已完结][关贴]优化好的过渡态，再加溶剂化出错了 大虾们帮帮忙啊~ (3/886) ghyyhl 2012-04-14 2012-04-14 19:06:32 by ghyyhl
[Gaussian] [已完结]opt=restart，结果提示轨道不对，求解 (6/1637) 黑狼鸟 2012-04-14 2012-04-14 18:55:16 by hakuna
[Gaussian] [已完结]收敛失败 (2/796) alexander8108 2012-04-14 2012-04-14 17:05:11 by ldzh0531
[Gaussian] [已完结]formchk命令的使用 .chk文件转化成.fchk文件    ( 1 2 ) (14/5948) daniell251 2012-04-12 2012-04-14 12:21:05 by daniell251
[Gaussian] 零点能的计算 (7/2697) jingetiema61 2012-04-13 2012-04-14 10:11:07 by lixiaocat
[Gaussian] [已完结]关于自旋多重度的疑问 (2/549) liyincumt 2012-04-13 2012-04-13 21:01:20 by 飘逸110
[Gaussian] [已完结]高斯机组gaussian机组选择问题 (4/1388) damihu2011 2012-04-11 2012-04-13 18:18:48 by damihu2011
[Gaussian] [已完结]为什么优化后的羧基上的氧原子是虚的双键？ (3/630) 119243775 2012-04-12 2012-04-13 17:21:29 by 119243775
[Gaussian] [已完结]Gaussian 计算拉曼光谱最后时刻出错    ( 1 2 ) (14/2016) 549536348 2012-04-09 2012-04-13 17:12:59 by 549536348
[Gaussian] 协同反应 前线轨道分析 (11/1911) nnipp 2012-04-10 2012-04-13 17:03:05 by nnipp
[Gaussian] Gaussian09B01的TDDFT的频率计算是解析的还是数值的？ (4/1165) coolrainbow 2012-04-12 2012-04-13 10:45:18 by lihb734
[Gaussian] [已完结]Gausian09 中的A.01和A.02版本 (2/555) huixiaokang 2012-04-12 2012-04-13 09:06:56 by material8563
[Gaussian] 【求助】零点能校正的必要性 (16/4673) ZJboy 2011-02-26 2012-04-13 00:59:51 by ZJboy
[Gaussian] [已完结]各位大侠，请问下我在linux计算，结果老是出现下面的问题，请问怎么办呀。    ( 1 2 3 ) (评阅+30) (23/2114) djl2008d 2012-04-09 2012-04-12 23:01:57 by djl2008d
[Gaussian] [已完结]CH4 分子轨道算不对 (5/2117) nnipp 2012-04-11 2012-04-12 22:47:32 by nnipp
[Gaussian] [已完结]单-三双发射 (1/239) liuy062 2012-04-11 2012-04-12 21:36:27 by 醒目苹果倪1707
[Gaussian] [已完结]Gaussian计算时不能保存输出文件 (2/2157) lionlian 2012-04-10 2012-04-12 21:13:53 by 未来海岸
[Gaussian] [已完结]Singlet计算时 Error in internal coordinate system (3/1503) lout9208 2012-04-12 2012-04-12 18:42:20 by 冬天里的骄阳
[Gaussian] [已完结]用Gaussian计算三甲基铝热力学参数 (0/344) kkknight 2012-04-12 2012-04-12 17:49:34 by kkknight
[Gaussian] [已完结]请教一个关于甲基上面的虚频的问题 (0/434) 醒目苹果倪1707 2012-04-12 2012-04-12 17:27:27 by 醒目苹果倪1707
[Gaussian] [已完结]关于激发态结构的优化。 (2/650) hongjianga 2012-04-11 2012-04-12 15:32:35 by hongjianga
[Gaussian] [已完结]XXXX command not found (4/655) leospindrift 2012-04-09 2012-04-12 10:58:56 by 我的小名
[Gaussian] 301错误 (4/891) lei234 2012-04-11 2012-04-12 10:53:49 by 我的小名
[Gaussian] [已完结]高斯计算L301错误 (2/2517) zhaolei1696 2012-04-09 2012-04-12 10:44:26 by 我的小名
[Gaussian] 生成焓的计算问题？？？ (1/1043) jingetiema61 2012-04-11 2012-04-11 17:22:20 by chiweijie
[Gaussian] 求助！！！求助！！！！求助！！！！ (0/270) milanforza 2012-04-11 2012-04-11 17:07:07 by milanforza
[Gaussian] [已完结]GaussView5.0S Save 时出错 (1/265) wangmanno1 2012-04-11 2012-04-11 14:06:41 by sculhf
[Gaussian] [已完结]对于只含C H O的化合物基组选择问题    ( 1 2 ) (12/1287) 119243775 2012-04-10 2012-04-11 11:55:21 by 119243775
[Gaussian] [已完结]优化后怎样继续算polar (3/876) katezhou 2012-04-10 2012-04-11 10:58:10 by lihb734
[Gaussian] [已完结]chk出错 (7/974) wangmanno1 2012-04-10 2012-04-11 09:38:07 by Captain-Jack
[Gaussian] [已完结]我想知道SMD是用来干嘛的？ (6/2284) Captain-Jack 2012-04-09 2012-04-11 08:51:20 by wqltting
[Gaussian] [已完结]高斯寻找过渡态，distance matrix出错，请高手帮我看看 (3/1585) 女巫的小木屋 2012-04-10 2012-04-10 14:48:10 by 女巫的小木屋
[Gaussian] [已完结]求助CCDC数据库化合物信息 (0/199) 119243775 2012-04-10 2012-04-10 12:45:17 by 119243775
[Gaussian] [已完结]gaussoan计算初始出错 (5/706) 119243775 2012-04-09 2012-04-10 12:39:22 by 119243775
[Gaussian] [已完结]CH4优化终止 (4/479) yaoqian0503 2012-04-06 2012-04-10 11:01:43 by yaoqian0503
[Gaussian] [已完结]金团簇—双硫醇体系计算经验 (5/965) 未来海岸 2012-04-08 2012-04-10 09:57:19 by 未来海岸
[Gaussian] 6-31g (3/1694) lei234 2012-04-08 2012-04-09 18:55:40 by lei234
[Gaussian] [关贴]L502在计算些什么··· (17/1447) Illusionist 2012-04-09 2012-04-09 16:50:54 by neu234
[Gaussian] [已完结]修改环境变量 (1/437) leospindrift 2012-04-09 2012-04-09 11:04:05 by abbott
[Gaussian] [已完结]怎样查该有机物质的晶体结构数据？求大侠指路~ (1/319) 119243775 2012-04-09 2012-04-09 10:19:08 by yalefield
[Gaussian] [已完结]分层计算和公式E oniom= E high(model) +E low(real)-E low(model)之间关系的疑问 (4/1339) 可米kemi 2012-04-07 2012-04-09 08:32:45 by 不喜欢豆芽
[Gaussian] [已完结]计算频率出错。。。请各位大侠帮忙 (2/275) 549536348 2012-04-08 2012-04-08 21:17:44 by 549536348
[Gaussian] [已完结]请高手指点 Error termination in NtrErr错误原因 (4/1425) Lau_Yuen 2012-04-07 2012-04-08 21:15:41 by Lau_Yuen
[Gaussian] [已完结]开壳层Wiberg键级计算问题 (4/1122) 雨萍 2012-04-07 2012-04-08 15:46:25 by 雨萍
[Gaussian] [已完结]有关溶剂模型的计算问题 (0/302) Captain-Jack 2012-04-08 2012-04-08 14:48:11 by Captain-Jack
[Gaussian] [已完结]能量计算 (1/424) tuzi198711 2012-04-08 2012-04-08 13:40:46 by ldzh0531
[Gaussian] [已完结]6-31G基组添加极化和弥散函数    ( 1 2 ) (14/3884) lion0528 2012-03-26 2012-04-08 12:47:01 by 亍寞
[Gaussian] Gauss算BSSE用counterpoise要加opt关键词吗 (3/1002) kaluoyi2008 2012-04-07 2012-04-08 12:37:20 by 119243775
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