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[热点] 面上基金申报没有其他的参与者成吗 默默的小虫子 2026-02-07 刚刚
[Gaussian] 对称性对频率分析的影响 (0/349) fzliyang 2014-04-23 2014-04-23 14:18:43 by fzliyang
[Gaussian] G09输出out文件打开出错，菜鸟求助。。。 (7/2188) luckone2013 2013-04-08 2014-04-23 11:01:28 by yu947937636
[Gaussian] [已完结]高斯算外电场 (1/859) zhongzhan11 2014-04-22 2014-04-23 10:19:17 by 枪下游魂
[Gaussian] [已完结]高斯混合基函数 (9/2140) zhongzhan11 2014-02-26 2014-04-23 08:29:34 by gaomeng12
[Gaussian] [已完结]求助！团簇磁矩，高手请进 (0/349) Goodliness 2014-04-22 2014-04-22 22:36:33 by Goodliness
[Gaussian] [已完结]关于取代反应 (0/203) haoguoyu 2014-04-22 2014-04-22 19:50:59 by haoguoyu
[Gaussian] [已完结]撞击感度的计算 (3/1086) 156128305 2014-04-16 2014-04-22 19:49:39 by cg陈
[Gaussian] [已完结]计算出来了 最后是这么一句话是什么意思 麻烦各位大神赐教 (4/1107) jeiboy 2014-04-22 2014-04-22 14:44:57 by 绍敏郡主
[Gaussian] [已完结]CCSD能量校正后能垒升高怎么回事？ (2/372) hongsemenghuan 2014-04-22 2014-04-22 14:10:13 by hongsemenghuan
[Gaussian] [已完结]gaussian求助 计算后出现新的键以及生成FCHK文件后出现新的键 (3/670) ririgay 2014-04-22 2014-04-22 12:38:43 by youyno
[Gaussian] [已完结]什么是电子结构？ (4/3319) haoguoyu 2014-04-21 2014-04-22 11:08:34 by sobereva
[Gaussian] [已完结]如何用计算化学手段或参数判定多个芳香环体系的离域强弱及吸收光谱 (7/1695) xiaoma541 2014-04-18 2014-04-22 10:24:55 by xiaoma541
[Gaussian] [已完结]高斯算拉曼优化过程中直接死掉 (6/1054) xrmc 2014-04-21 2014-04-22 09:34:51 by 枪下游魂
[Gaussian] [已完结]溶剂中荧光计算中的几个问题 (2/493) fyzhuhui 2014-04-21 2014-04-22 07:47:41 by 枪下游魂
[Gaussian] [已完结][关贴]CCSD单点计算，跑了3,4天了还没结束正常吗？ (5/978) hongsemenghuan 2014-04-18 2014-04-21 23:20:30 by lhjms
[Gaussian] [已完结]构型优化应该选对称性高还是低 (0/217) cczjkd 2014-04-21 2014-04-21 21:01:00 by cczjkd
[Gaussian] [已完结]如何计算苯环上电子云密度 (4/4174) silicon 2014-04-20 2014-04-21 14:57:36 by silicon
[Gaussian] [已完结]电荷和自旋多重度的设置 (7/3373) 小罗008 2014-04-18 2014-04-21 11:28:49 by 小罗008
[Gaussian] [已完结][关贴]计算盐类化合物中阳离子对化合物稳定的影响 (1/391) b071130103 2014-04-21 2014-04-21 09:52:52 by youyno
[Gaussian] [已完结]restart应用总失败 (1/412) C_X_L 2014-04-20 2014-04-21 09:29:29 by 枪下游魂
[Gaussian] [已完结]高斯计算有效磁矩 (0/488) 422592236 2014-04-19 2014-04-21 09:00:21 by 422592236
[Gaussian] [已完结]相互作用力能否用高斯计算证明 (6/2193) 记忆微笑 2012-08-21 2014-04-20 19:31:26 by missducksong
[Gaussian] [已完结]高斯09计算，不分层时能正常计算。分层时提交出现错误 (3/1070) qiaodan1029 2013-05-14 2014-04-20 10:32:44 by castorsunqq
[Gaussian] M062x方法适合算氢键嘛~ (8/3335) 郝玉蕾 2014-04-17 2014-04-19 15:03:09 by wanguangli
[Gaussian] [已完结]**** Warning!!: The largest alpha MO coefficient is 0.15257626D+02 是哪里有问题 (5/2618) xiemeng101 2014-03-07 2014-04-19 12:29:12 by yokan
[Gaussian] [已完结][关贴]chmod –R 770 g09 (1/878) 邵将洋 2014-04-18 2014-04-19 09:47:11 by Illusionist
[Gaussian] [已完结]IRC出现比过渡态能量还高的点 (0/762) shaonan 2014-04-18 2014-04-18 17:49:02 by 1989shaonan
[Gaussian] [已完结]Gaussian IRC计算是否正常结束？ (6/2291) TheMatrix 2012-09-22 2014-04-18 14:27:27 by yangys108
[Gaussian] [已完结]高斯优化查看结构，发现H-O键消失，但是H原子还在？    ( 1 2 3 4 ) (31/3921) aixiaok110 2013-04-18 2014-04-18 14:13:45 by 怡飘的云彩
[Gaussian] [已完结]过渡金属配合物与烯烃的配位 (0/679) lmingshu 2014-04-17 2014-04-17 21:22:27 by lmingshu
[Gaussian] test (1/323) 绍敏郡主 2014-04-17 2014-04-17 20:21:15 by userhung
[Gaussian] [已完结][关贴]重复文献中高斯计算的体系能量差很多怎么回事呢？ (1/422) 哈哈宝 2014-04-17 2014-04-17 17:13:45 by 哈哈宝
[Gaussian] [已完结]分子筛内质子转移能垒可能近乎于0吗？求相关文献 (0/244) notany 2014-04-17 2014-04-17 16:41:12 by notany
[Gaussian] [已完结]有关吸收光谱模拟中遇到的点问题，不吝赐教！ (0/327) gouna 2014-04-17 2014-04-17 16:11:32 by gouna
[Gaussian] [已完结]可以帮忙排查一下高斯D01安装过程中出现的错误吗，不胜感激！    ( 1 2 ) (16/3134) nima0332 2014-03-25 2014-04-17 13:17:33 by xuzhj01
[Gaussian] [已完结]关于跑IRC结束的标志 (0/426) 404283110 2014-04-17 2014-04-17 09:10:36 by 404283110
[Gaussian] [已完结]求助 请问GView里面的Ring Fragment里面能不能添加自己的构型啊 (2/352) cczjkd 2014-04-14 2014-04-16 21:11:16 by cczjkd
[Gaussian] [已完结]求算HOMO和LUMO能级 (0/546) 斯文赫 2014-04-16 2014-04-16 12:55:48 by 斯文赫
[Gaussian] [已完结][关贴]急急急，求高手指教！ (6/858) tianyi2010 2014-04-15 2014-04-16 11:33:22 by 枪下游魂
[Gaussian] [已完结][关贴]计算完结出错 (1/326) 赵文华110 2014-04-16 2014-04-16 10:08:14 by wangluqiao
[Gaussian] [已完结]新手，求教 (6/638) chanyu1990 2014-04-12 2014-04-16 10:02:15 by chanyu1990
[Gaussian] 【求助】高斯优化displacement变为0，怎么办？ (2/528) lingznpmg 2011-03-04 2014-04-16 08:13:58 by Rylinr
[Gaussian] 【求助】用计算化学研究表面活性剂HLB值应从何下手？ (4/659) janetin 2011-02-28 2014-04-16 08:10:02 by 阿佳water
[Gaussian] [已完结]请大牛解答一个概念性问题，表观活化能与绝对能垒，有实例分析 (9/3651) boylc789 2013-10-17 2014-04-16 07:05:15 by 雨·
[Gaussian] [已完结]关于文献中电荷的问题 (4/848) gao4595052 2014-04-14 2014-04-15 22:16:05 by 张鸿
[Gaussian] [已完结]emsl下载定义 (1/223) zhongzhan11 2014-03-17 2014-04-15 19:37:40 by zhongzhan11
[Gaussian] [已完结]H原子能量计算 (0/1322) zhongzhan11 2014-04-15 2014-04-15 19:18:43 by zhongzhan11
[Gaussian] [已完结]求大神，荧光计算。 (4/911) guo535388 2014-04-11 2014-04-15 12:51:25 by 千字文
[Gaussian] [已完结]高斯激发态构型优化，L202错误 (0/645) oyezzy 2014-04-15 2014-04-15 10:14:25 by oyezzy
[Gaussian] [已完结]电脑关机后重启，gaussian09如何继续之前没算完的工作？ (1/1643) 麦克_mike 2014-04-14 2014-04-15 08:19:29 by 枪下游魂
[Gaussian] [已完结]计算NICS值的问题 (1/2126) 小磊磊爱无机 2013-11-26 2014-04-15 07:55:19 by crystalzjy
[Gaussian] [已完结]急求助！修改文章遇问题    ( 1 2 ) (10/1427) mengxiang9251 2014-04-09 2014-04-14 16:45:29 by mengxiang9251
[Gaussian] [已完结]关于基组数据库的问题求助 (0/415) gaomeng12 2014-04-14 2014-04-14 15:35:15 by gaomeng12
[Gaussian] [已完结]cif (1/534) ivylxjlove 2014-04-12 2014-04-12 22:53:55 by 卡开发发
[Gaussian] [已完结]关于用gaussian计算发射光谱的讨论，希望大家多多指点！ (2/664) yaochuang 2014-04-11 2014-04-12 09:10:06 by yaochuang
[Gaussian] 结构优化固定一部分，优化另一部分该怎么做呢？ (0/244) 1014104472 2014-04-12 2014-04-12 08:50:55 by 1014104472
[Gaussian] [已完结]ONIOM混合基组写法 (0/821) 026li 2014-04-12 2014-04-12 08:39:36 by 026li
[Gaussian] 【求助】请问Gaussian计算带电荷有机物时电荷和自旋多重度如何选择 (18/4039) riodiego 2010-12-26 2014-04-11 17:29:42 by yu947937636
[Gaussian] [已完结]哪位大神有关于一个反应加入第三单体后改变反应能垒的计算类文献？ (0/197) gao4595052 2014-04-11 2014-04-11 14:44:42 by gao4595052
[Gaussian] [已完结]参考文献 (1/619) ivylxjlove 2014-04-10 2014-04-11 12:26:56 by ivylxjlove
[Gaussian] [已完结]高斯的画图问题 (7/3083) tengyun1989 2014-04-10 2014-04-11 10:54:37 by muniujjyy
[Gaussian] [已完结]求助：高斯中，Nd元素应该用哪个基组最好呢？谢谢 (3/1133) 半截烟洋洋 2014-04-10 2014-04-11 10:37:27 by 半截烟洋洋
[Gaussian] [已完结]怎么计算一个分子3重态的IRC曲线上结构对应的5重态的投影 (1/540) chemjie 2014-04-10 2014-04-10 23:52:16 by sobereva
[Gaussian] [已完结]求助高斯view03 多谢 (1/229) luqi1012 2014-04-10 2014-04-10 21:20:59 by 黄金比例
[Gaussian] [已完结]用高斯模拟的吸收光谱中，有三个峰出现，请问怎么确定最大吸收波长呢？ (3/2027) gouna 2014-04-03 2014-04-10 21:09:06 by gouna
[Gaussian] gaussian09计算时，输出文件只读到坐标，这是怎么回事啊？    ( 1 2 ) (13/1771) 1014104472 2014-04-09 2014-04-10 18:03:18 by 1014104472
[Gaussian] [已完结]我的自旋多重度设置是否正确 (4/837) 小罗008 2014-04-07 2014-04-10 15:25:03 by 小罗008
[Gaussian] [已完结]SMD模型做溶剂化效应    ( 1 2 ) (14/8648) shuangliu 2013-11-18 2014-04-10 15:04:42 by shuangliu
[Gaussian] [已完结]求助：gaussian报错Error termination in NtrErr: NtrErr Called from FileIO. (7/3283) Hades_h 2014-04-09 2014-04-10 14:52:29 by Hades_h
[Gaussian] [已完结]输出错误 I301.exe (3/968) xingweizhen 2014-04-09 2014-04-10 14:37:44 by xingweizhen
[Gaussian] [已完结][关贴]关于分子对称性的问题，急 (5/1172) 学员jDhte6 2014-04-09 2014-04-10 07:40:50 by 枪下游魂
[Gaussian] 量子化学计算，接收快，见刊快，IF比较低的有哪些 (1/487) 科比无敌 2014-04-09 2014-04-09 20:30:10 by 飞行鸟
[Gaussian] 怎么看gaussican view中的NMR，求指教，谢谢 (5/1197) 小范范1989 2014-04-09 2014-04-09 19:03:37 by 小范范1989
[Gaussian] NMR，惨死在l1002 (8/1442) cavediger 2014-04-09 2014-04-09 18:48:42 by 无为之人
[Gaussian] 【求助】请教有关应用高斯软件优化分子结构时的问题 (6/2353) zhyang8385 2010-12-22 2014-04-09 15:48:44 by tengyun1989
[Gaussian] [已完结]关于激发态T1的构型优化方法哪种比较好？ (6/1988) yaochuang 2014-04-08 2014-04-09 14:54:04 by density
[Gaussian] 【求助】求助 (金币≥50)(6/57) 200844281 2010-11-27 2014-04-09 14:27:16 by qghd
[Gaussian] [已完结]求教一个双自由基的自旋多重度问题，谢谢 (1/2022) xyang168 2014-04-08 2014-04-09 10:55:47 by xyang168
[Gaussian] [已完结]高斯中相关性质的计算？ (4/1166) liuyu1989 2014-04-09 2014-04-09 10:23:57 by liuyu1989
[Gaussian] [已完结]有关键能计算的几个问题 (9/1497) 小罗008 2014-04-07 2014-04-09 08:46:30 by 小罗008
[Gaussian] [已完结]gaussian 计算CD谱求助 (5/1490) 丛中笑 2012-06-06 2014-04-08 20:34:01 by gsyunbb
[Gaussian] [已完结]如何正确输入计算的循环次数 (1/412) 小罗008 2014-04-08 2014-04-08 19:38:07 by 黄金比例
[Gaussian] [已完结]求高斯09自带例子 (1/1896) 2008从容 2013-05-29 2014-04-08 18:02:20 by liuxinhitny
[Gaussian] gaussian的轨道系数问题 (0/1261) cavediger 2014-04-08 2014-04-08 17:16:20 by cavediger
[Gaussian] [已完结]gaussian09在centos5.5安装下求指导    ( 1 2 ) (13/2418) joly19901105 2014-04-03 2014-04-08 15:13:34 by huaiji
[Gaussian] [已完结]freq出错，什么原因？ (3/653) xiemeng101 2014-04-03 2014-04-08 08:12:56 by xiemeng101
[Gaussian] [已完结]NF3的内坐标表示 (5/948) candy雅雅04 2014-04-07 2014-04-08 01:48:55 by youyno
[Gaussian] 计算灌水的期刊有哪些 (1/623) 科比无敌 2014-04-07 2014-04-07 20:58:55 by sobereva
[Gaussian] [已完结]高斯赝势 (2/1128) zhongzhan11 2014-04-07 2014-04-07 14:44:19 by 枪下游魂
[Gaussian] [已完结]如何得到原子中某个轨道对分子总磁矩的贡献？    ( 1 2 ) (12/2976) 科学岛 2013-12-24 2014-04-07 13:05:33 by yeeyeenz
[Gaussian] [已完结]如何用TDDFT计算某一个激发态的跃迁偶极矩 (0/407) jianluo90 2014-04-07 2014-04-07 10:57:50 by jianluo90
[Gaussian] [已完结]Gaussian 03    ( 1 2 ) (13/1749) dongrui2004 2011-07-20 2014-04-06 09:45:02 by yuanchunma
[Gaussian] [已完结]输出文件结尾明明有 normal termination，可是查看结果虚频为1 (6/984) SMILELING 2014-04-05 2014-04-05 20:53:28 by SMILELING
[Gaussian] [已完结]自旋多重度的求助 (1/708) 科大007 2014-04-05 2014-04-05 18:27:00 by smutao
[Gaussian] [已完结]基组 (5/1262) 李晓绒 2014-04-03 2014-04-04 20:57:28 by 李晓绒
[Gaussian] [已完结][关贴]关于高斯ONIOM计算时， “ bonded-to“这个参数的使用问题 (0/681) liyuwei 2014-04-04 2014-04-04 17:04:10 by liyuwei
[Gaussian] [已完结]求算lumo和homo,结构单元    ( 1 2 ) (12/1829) sopphia 2014-04-02 2014-04-04 15:03:07 by cxyuan09
[Gaussian] [已完结]求高斯中并行优化计算的输入模板 (1/680) madelineli 2014-04-04 2014-04-04 14:50:02 by 枪下游魂
[Gaussian] [已完结]G03中计算DMF （N,N-二甲基甲酰胺）的溶剂效应，如何输入关键词啊？ (5/2090) 1014104472 2014-04-02 2014-04-04 08:10:18 by 枪下游魂
[Gaussian] [已完结]审稿意见求帮助 (0/292) baoyuan6969 2014-04-04 2014-04-04 00:48:00 by baoyuan6969
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