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[热点] 面上项目申报 Tide man 2026-02-07 刚刚
[Gaussian] 关于chk文件 (8/1170) 111222000 2013-04-17 2013-04-20 20:48:24 by 111222000
[Gaussian] [已完结]电荷和自旋多重度 (5/2499) wangz00 2013-04-20 2013-04-20 16:34:01 by zhaogaiyun
[Gaussian] [已完结]About: Gaussian计算outersphere的电子转移问题 (3/735) jiangdafa 2013-04-19 2013-04-20 13:09:59 by yongleli
[Gaussian] [已完结]ECD问题 (1/564) wzq70402 2013-04-18 2013-04-20 11:26:42 by wzq70402
[Gaussian] [已完结]循环 (2/322) 求知燕子 2013-04-10 2013-04-20 07:44:04 by 求知燕子
[Gaussian] [已完结]高斯输出文件 (7/2007) LynSong 2013-04-08 2013-04-19 21:05:51 by zhouwohua
[Gaussian] [已完结]gaussian halt optimization without error message in out file    ( 1 2 ) (11/1974) szhshuan 2013-04-16 2013-04-19 20:34:39 by zhouwohua
[Gaussian] [已完结]优化不收敛 (2/542) 798879443 2013-04-02 2013-04-19 19:37:20 by zhouwohua
[Gaussian] [已完结]gaussian09过渡态优化出现l103错误，求解决 (6/3154) ludeng8710 2012-07-15 2013-04-19 12:16:18 by marson
[Gaussian] [已完结]文档求助 (0/259) 小窗夜梦 2013-04-19 2013-04-19 11:18:53 by 小窗夜梦
[Gaussian] [已完结]高斯计算入门求助 (6/1146) 小窗夜梦 2013-04-18 2013-04-19 10:49:59 by 小窗夜梦
[Gaussian] 一个过渡态的IRC的两种错误问题 (3/970) shuangliu 2013-04-18 2013-04-19 07:38:23 by CKX
[Gaussian] [已完结]关于高斯09计算电子转移反应的重组能，如何操作~ (0/661) marson 2013-04-18 2013-04-18 21:33:00 by marson
[Gaussian] [已完结][关贴]求一计算不同温度压力下热力学性质的自编译程序 (5/680) 111222000 2013-04-17 2013-04-18 17:02:24 by 111222000
[Gaussian] [已完结]加速单点能计算 (4/1107) wangsihang 2013-04-18 2013-04-18 15:43:50 by wangsihang
[Gaussian] [已完结]想在Gaussian程序包里面找公式应该怎么做？ (2/277) 王小抠儿 2013-04-15 2013-04-18 10:16:05 by 王小抠儿
[Gaussian] 【求助】基组的理解 (7/2320) caozf 2010-07-16 2013-04-18 08:26:56 by kxwy
[Gaussian] core–valence correlation时用什么基组 (1/286) kent1022 2013-04-17 2013-04-18 08:16:23 by lujun2910
[Gaussian] [已完结][关贴]帮忙算能量（Gaussian）    ( 1 2 ) (14/951) mfyoung 2013-04-15 2013-04-17 22:32:36 by xifan520
[Gaussian] [已完结]反应物，过渡态，和生成物能量 (5/1853) 119243775 2013-04-17 2013-04-17 21:51:21 by marson
[Gaussian] [已完结]TDDFT激发态 (2/343) luojin7653 2013-04-15 2013-04-17 15:14:17 by flyonsea
[Gaussian] g09计算三态发射出现负数怎么办 (4/848) aiolia867 2013-04-15 2013-04-17 12:18:21 by aiolia867
[Gaussian] 关于标准摩尔熵的计算 (0/4109) jingetiema61 2013-04-17 2013-04-17 10:26:29 by jingetiema61
[Gaussian] [已完结]收敛问题，这个可以有？ (3/697) 119243775 2013-04-16 2013-04-17 08:14:18 by jiameiye
[Gaussian] [已完结]金属原子 自旋多重度设定 (6/2067) G03W 2012-08-17 2013-04-17 07:42:52 by ACSI
[Gaussian] [已完结]AlnPt (n=1-15) 团簇如何用高斯计算它的反应的活化能？ (8/1124) zxpersist 2013-04-14 2013-04-16 20:59:09 by dicpwbx
[Gaussian] [已完结]频率校正因子 (2/1245) huilovezhe 2013-04-11 2013-04-16 19:58:25 by marson
[Gaussian] [已完结]gaussian算高对称性分子的非谐性频率出错 (0/219) xixi1007 2013-04-16 2013-04-16 17:02:56 by xixi1007
[Gaussian] [已完结]如何用高斯软件计算分子间作用力？ (6/3851) Red_Andy 2013-03-10 2013-04-16 11:00:24 by yongleli
[Gaussian] 【讨论】关于Gaussian ]计算反应能垒 (13/3954) majun04 2011-01-17 2013-04-16 06:16:32 by 余东海
[Gaussian] 【讨论】关于高斯计算不同条件下的热力学函数 (8/2546) 20928140 2011-04-06 2013-04-15 19:52:16 by 836449366
[Gaussian] [已完结]L1112错误 (3/556) tianwenk 2013-04-15 2013-04-15 16:28:38 by tianwenk
[Gaussian] [已完结]求助如何确定团簇分子的几何构型 (4/688) skywyy2011 2013-04-13 2013-04-15 16:01:55 by skywyy2011
[Gaussian] [已完结]高斯计算中的溶剂效应问题 (2/1349) 笨笨熊2号 2013-04-10 2013-04-15 15:06:17 by 笨笨熊2号
[Gaussian] 中微子超光速？爱因斯坦还是赢了：电脑上有根线没插好    ( 1 2 3 4 ) (30/3498) coolrainbow 2012-02-23 2013-04-15 14:02:52 by 青龙返首
[Gaussian] [专家] [已完结]求问一个内存加载不一致的问题 (1/462) jiewei 2013-04-15 2013-04-15 12:39:35 by jiewei
[Gaussian] [已完结]为什么此作业提交不了？segmentation violation错误    ( 1 2 ) (10/2497) luyang_982 2013-03-27 2013-04-15 10:24:38 by 迟小二儿
[Gaussian] [已完结]怎么用高斯计算配合物的荧光性质 (4/1093) 769148574 2013-04-11 2013-04-15 09:44:21 by 769148574
[Gaussian] 【转载】Gaussian入门技巧四（关于对称性） (评阅+2) (7/4227) honey宝贝 2011-04-02 2013-04-15 06:32:33 by jiangdafa
[Gaussian] [已完结]写文章时不同结构的同分异构体如何命名 (3/740) 丁秋月 2013-04-12 2013-04-14 21:57:10 by 丁秋月
[Gaussian] [已完结]环己烷不同构象之间活化能转化 (2/1160) cookjin 2013-04-14 2013-04-14 21:35:23 by cookjin
[Gaussian] [已完结]G03 CIS激发态优化 (9/1110) sjc947440689 2013-04-07 2013-04-14 21:01:22 by zyhappy
[Gaussian] [已完结]求助有关高斯计算激发态能量准确度问题 (6/1847) abraham89 2013-04-02 2013-04-14 20:24:29 by zyhappy
[Gaussian] [已完结]铝铂双金属团簇的生长机理如何用动力学解释 (2/555) zxpersist 2013-04-12 2013-04-14 14:39:29 by zxpersist
[Gaussian] [已完结]Gaussian03算DFT-D (1/328) wangsihang 2013-04-13 2013-04-14 12:43:00 by yongleli
[Gaussian] [已完结]计算NMR有校正因子吗 (6/1513) xhz1967 2012-04-11 2013-04-14 09:50:28 by xt_llw
[Gaussian] [已完结]关于优化结构和NMR计算的基组选择问题 (8/1657) celine蔡 2013-03-22 2013-04-13 19:59:14 by sobereva
[Gaussian] [已完结][关贴]如何免费下载和有效地使用高斯量化软件 (2/1306) taxoly 2012-11-24 2013-04-13 14:50:18 by taxoly
[Gaussian] [已完结]用ccsd(t) /aug-cc-pVTZ 算单点能 死在l804，请问如何解决？ (3/956) renhe998 2012-09-15 2013-04-13 11:16:46 by marson
[Gaussian] [已完结]谁能告诉我哪里错了？    ( 1 2 ) (13/1626) luyang_982 2013-04-10 2013-04-13 11:14:29 by luyang_982
[Gaussian] [已完结]为何不能产生wfn文件？ (2/807) ZJboy 2013-04-12 2013-04-12 20:30:26 by ZJboy
[Gaussian] 模拟IF3出错 (3/419) luckone2013 2013-04-10 2013-04-12 08:28:44 by yanrding
[Gaussian] 二茂铁结构的不同画法，取哪个？ (11/3804) nedved33 2012-05-31 2013-04-12 07:13:07 by yongleli
[Gaussian] [已完结]density=transition=1的问题 (1/396) 六世之爱 2013-04-09 2013-04-11 11:39:54 by ggdh
[Gaussian] [已完结]求助：高斯计算激发态复合物和自由基对 (5/1355) abraham89 2013-04-07 2013-04-11 11:37:16 by ggdh
[Gaussian] [已完结]优化结构的log文件中出现了四个yes但最后却又出现了一个no？ (2/1119) F-22猛禽 2013-04-11 2013-04-11 09:52:20 by lingzhi901
[Gaussian] 运算结束后，增加运算，要从头开始吗？ (1/320) 春华秋实2020 2013-04-10 2013-04-10 13:41:26 by 春华秋实2020
[Gaussian] [已完结]【求助】使用溶剂华模型TDDFT时，需要使用同样的溶剂化条件下优化后的分子结构吗？ (5/773) zky322003 2013-04-09 2013-04-10 11:37:49 by ggdh
[Gaussian] [已完结]计算BP-D3使用什么关键词 (1/478) 心声下载 2013-04-09 2013-04-10 01:02:13 by yongleli
[Gaussian] [已完结]HOMO与HUMO的相关信息查找 (3/789) 柳誉 2013-04-08 2013-04-09 22:16:54 by 548698276
[Gaussian] [已完结]审稿人意见 (1/351) sanshi85 2013-04-08 2013-04-09 21:13:55 by ggdh
[Gaussian] [已完结]求助计算阴离子染料的电荷和多重度设置 (4/638) abraham89 2013-04-09 2013-04-09 20:44:16 by ggdh
[Gaussian] [已完结]Gaussian计算成盐的羧酸类化合物的计算方法？！ (1/209) xt_llw 2013-04-08 2013-04-08 19:57:28 by stalart
[Gaussian] [已完结][关贴]紫外和荧光光谱计算，有关激发态问题 (1/456) celine蔡 2013-04-08 2013-04-08 19:56:23 by stalart
[Gaussian] [已完结]pop=(nbo,savemixed) 关键字作用 (3/1824) luojin7653 2012-12-02 2013-04-08 19:33:01 by foreverhaozi
[Gaussian] ubuntu12.04安装ifort (1/846) hellogagaga 2013-04-08 2013-04-08 18:08:25 by zhongshidaxt
[Gaussian] [已完结]gauss服务器计算出现溢出，L1110错误，求助 (4/1367) 毛毛虫_ 2013-01-14 2013-04-08 16:57:45 by 毛毛虫_
[Gaussian] [已完结]高斯不能运行 怀疑权限问题 (3/1102) hellogagaga 2013-04-08 2013-04-08 16:19:20 by hellogagaga
[Gaussian] [已完结]高斯计算金属团簇单点能，用ccsd（t)要考虑自旋污染的影响吗？ (3/828) 伟明 2013-04-07 2013-04-08 14:03:18 by 伟明
[Gaussian] [已完结]本人想学习Linux的使用 包括服务器的维护和调试，如何下手 (8/1604) lixiaona158 2013-02-06 2013-04-08 10:14:33 by 风间的记忆
[Gaussian] [已完结]ZnI2气态的定压比热容怎么得到 (0/629) xuzemin 2013-04-08 2013-04-08 10:00:07 by xuzemin
[Gaussian] 彻底凌乱了，高斯计算出来与单晶数据差别也太大了，可以当炸弹了，我还用的高级组 (6/1326) penghcp 2013-04-07 2013-04-08 09:54:59 by xuzemin
[Gaussian] [已完结]高斯小问题 求解 (9/1345) liushuang16 2013-04-05 2013-04-07 12:54:58 by liushuang16
[Gaussian] [已完结]重叠布居电荷的划分问题 (2/779) klaus1987 2013-04-06 2013-04-06 23:32:00 by sobereva
[Gaussian] [已完结]介电常数 (0/371) lmingshu 2013-04-06 2013-04-06 22:09:30 by lmingshu
[Gaussian] [已完结]高斯优化小问题 (7/783) 华丽丽19605 2013-04-04 2013-04-06 20:51:11 by 华丽丽19605
[Gaussian] [已完结]SAC-CI方法说明和输入文件设置 (2/475) CMLY 2013-04-04 2013-04-06 19:26:39 by CMLY
[Gaussian] 【讨论】大家见过这样的吸收跃迁么？    ( 1 2 3 4 5 ) (45/3172) superfan 2010-11-03 2013-04-05 20:49:41 by gmy1990
[Gaussian] [已完结]Gaussian 做TD，跃迁态中存在反向跃迁，作何解？（已完结） (0/294) 思雨G十年 2013-04-05 2013-04-05 16:35:49 by 思雨G十年
[Gaussian] 对配合物结构的处理（不优化，取代基修饰，部分优化）    ( 1 2 ) (评阅+5) (16/1543) ZJboy 2011-07-23 2013-04-05 11:15:56 by ZJboy
[Gaussian] [已完结]存在原子转移的分子怎么添加溶剂化效应 (7/1216) shenailin 2011-05-29 2013-04-05 02:21:01 by spearous
[Gaussian] [已完结]请问什么是赝势定义？ (1/492) yangwenpeng 2013-04-04 2013-04-04 22:14:41 by stalart
[Gaussian] [已完结]电子自旋密度对自由基反应的影响 (6/1674) hongjianga 2013-04-03 2013-04-04 19:12:44 by ggdh
[Gaussian] [已完结]gaussian98 Windows安装文件 (2/595) jchenah 2013-04-01 2013-04-03 20:50:20 by jchenah
[Gaussian] [已完结]gaussian L508错误 (4/3186) 轩辕重出江湖 2013-04-02 2013-04-03 19:59:59 by 轩辕重出江湖
[Gaussian] [已完结]计算氮气最高占有轨道适用什么基组？ (1/399) cruier 2013-04-02 2013-04-03 19:18:41 by xyj880506
[Gaussian] [已完结]高斯优化--部分固定 (2/693) 凌夏V艾 2013-04-03 2013-04-03 19:04:40 by xyj880506
[Gaussian] [已完结]IRC跑不下去    ( 1 2 ) (12/1664) ZZU2011 2013-03-29 2013-04-03 11:41:59 by wan323
[Gaussian] [已完结]GaussView中固定坐标 (8/2196) honeypeng 2011-05-12 2013-04-03 08:48:14 by honeypeng
[Gaussian] [已完结]在gaussian view里面没有M06-2x泛函，该怎么办呀？ (9/4599) wangsihang 2013-01-27 2013-04-03 07:40:53 by 游子8921
[Gaussian] [已完结]求助，高斯03 (7/508) ztl19780124 2013-03-31 2013-04-02 22:22:29 by ztl19780124
[Gaussian] [已完结]过渡态能垒有合理的范围么？我做的两个能垒都不合理？ (6/2097) zzu7788321 2013-03-31 2013-04-02 20:02:46 by t13340033021
[Gaussian] [已完结]熵和热力学函数 (2/625) skysky112211 2013-03-30 2013-04-02 19:52:46 by skysky112211
[Gaussian] [已完结]计算单晶的荧光发射 (2/383) maizui2003 2013-04-02 2013-04-02 19:40:46 by maizui2003
[Gaussian] [已完结]如何编写PBS作业的脚本？    ( 1 2 ) (14/3942) undergoer 2011-12-12 2013-04-02 19:10:14 by youngfi
[Gaussian] 【求助】请问Gaussian在优化过程中可以固定某两个分子不动吗？ (8/1658) taliayoung 2010-09-13 2013-04-02 18:33:49 by silverlhy
[Gaussian] [已完结]紧急求助高斯扫势能曲线（同分子中不同基团之间的距离如何定义） (4/1535) zheyi-1984 2013-01-28 2013-04-02 16:17:15 by zheyi-1984
[Gaussian] [已完结]请教Gaussian中一个金属-阳离子体系的charge和spin设定的问题 (4/1782) alexwpch 2012-05-23 2013-04-02 14:39:46 by meteoric30
[Gaussian] [已完结]还原反应机理研究 (0/205) 兔子lizzy 2013-03-29 2013-04-02 14:31:46 by 兔子lizzy
[Gaussian] [已完结]gaussian中怎样根据离解通道分别计算势能曲线 (0/348) kent1022 2013-03-29 2013-04-02 14:31:20 by kent1022
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