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[Gaussian] 【求助】Ti的赝势基组 (7/1197) tandz 2010-06-18 2010-06-21 07:48:17 by tandz
[Gaussian] 【转载】2009年计算类的几个杂志的IF (评阅+5) (4/782) coolrainbow 2010-06-20 2010-06-20 15:44:15 by qzhaosdu
[Gaussian] 【求助】RedHat 提交高斯计算任务,出错错误,求救 (8/1116) erylingjet 2010-06-15 2010-06-20 12:14:59 by pdce218
[Gaussian] 【求助】关于写关键字 (4/1010) caozf 2010-06-17 2010-06-20 12:08:29 by pdce218
[Gaussian] 【求助】6-31G(P*)是6-31+g(p) 吗? (2/454) Hansongtao 2010-06-20 2010-06-20 11:51:14 by pdce218
[Gaussian] 【求助】如何计算第一超极化率 (2/640) 贾贾 2010-06-18 2010-06-19 11:51:08 by 贾贾
[Gaussian] 【求助】能隙 HOMU-LUMO (5/1383) zhaideming 2010-06-15 2010-06-19 10:19:57 by noeyedragon
[Gaussian] 【求助】问个初级问题。出错的原因是？ (4/632) gonemrc 2010-06-07 2010-06-19 08:22:35 by gonemrc
[Gaussian] 【求助】G03中cosmo的计算 (0/531) grape_0805 2010-06-18 2010-06-18 22:40:07 by grape_0805
[Gaussian] 【求助】布尔兹曼 分布 (0/647) caurabbit 2010-06-18 2010-06-18 20:33:04 by caurabbit
[Gaussian] 【求助】求Gaussian 03 E01 linux x64 (3/740) raidentony 2010-06-15 2010-06-18 20:13:02 by faqianliu
[Gaussian] 【求助】输入的结构坐标 (1/284) caozf 2010-06-18 2010-06-18 16:12:07 by yjcmwgk
[Gaussian] 【求助】IRC能量计算问题求助 (2/1095) liujodan 2010-06-18 2010-06-18 14:55:34 by zhangmt
[Gaussian] 【求助】gaussian计算IR谱图的纵坐标Epsilon有什么含义啊 (4/1955) bingyu8011 2010-05-13 2010-06-18 10:08:46 by bingyu8011
[Gaussian] 【讨论】Aug-cc-pVTZ-PP基组的用法 (4/3489) dukelr 2010-06-17 2010-06-18 10:05:22 by qzhaosdu
[Gaussian] 【讨论】自由水如何处理？ (0/213) agou8888 2010-06-17 2010-06-17 22:02:20 by agou8888
[Gaussian] 【求助】在linux下安装高斯的问题 (8/1948) vallen 2009-10-02 2010-06-17 20:38:54 by zhangmt
[Gaussian] 【求助】求问一下高斯势能面扫描716错误 (0/533) NUPT 2010-06-17 2010-06-17 19:11:23 by NUPT
[Gaussian] 【求助】如何用高斯03计算并绘制有机分子的partial charge distribution图？谢谢！ (1/667) ZhangXH 2010-06-16 2010-06-17 17:21:07 by libaozhen
[Gaussian] 【求助】哪位大侠投过 JCC 的期刊啊，帮忙给个主页的链接吧，多谢！ (8/5259) 子橙 2010-06-08 2010-06-17 15:16:31 by 子橙
[Gaussian] 【求助】BSSE计算出错 (0/423) S07111072 2010-06-16 2010-06-16 15:35:25 by S07111072
[Gaussian] 【讨论】各位虫子们的高斯都是在windows 还是在linux下运行的 (9/2320) tiechong 2009-09-07 2010-06-16 15:23:13 by 王中学
[Gaussian] 【求助】软件问题 (4/478) hedan1215 2010-06-15 2010-06-16 14:38:28 by yyx19840628
[Gaussian] 【求助】L9999报错 (7/2005) Hansongtao 2010-06-15 2010-06-16 14:22:24 by yjcmwgk
[Gaussian] 【求助】如何用高斯03计算并绘制有机分子的局部电荷分布图？ (0/987) ZhangXH 2010-06-16 2010-06-16 13:34:27 by libaozhen
[Gaussian] 【求助】Gaussian计算求助，价值帖赠送金币    ( 1 2 ) (12/1944) lyy880530 2010-06-09 2010-06-16 09:17:08 by yufengjiayou
[Gaussian] 【求助】L1报错 (4/922) Hansongtao 2010-06-15 2010-06-16 08:49:55 by Hansongtao
[Gaussian] 【求助】单点能计算结果中的SCF的单位是Hartree吗? (3/718) Hansongtao 2010-06-14 2010-06-15 23:03:07 by 奔鲨
[Gaussian] 【求助】FRE 和OPT FRE计算结果 (5/744) jhliyi 2010-06-15 2010-06-15 15:50:42 by jhliyi
[Gaussian] 【求助】BSSE计算时出现这样的提示该如何解决？ (2/418) gnli 2010-06-14 2010-06-15 14:05:56 by hzfish
[Gaussian] 【求助】HOMU-LUMO 能隙的问题 (1/1094) zhaideming 2010-06-15 2010-06-15 13:06:11 by yjcmwgk
[Gaussian] 【求助】求计算葡萄糖OH、CH键能的方法 (0/715) Hansongtao 2010-06-15 2010-06-15 10:41:41 by Hansongtao
[Gaussian] 【求助】关于Ground electronic state的SG的正负判断 (2/592) csfn 2010-06-14 2010-06-14 23:18:23 by beefly
[Gaussian] 【求助】优化后将断开的键连上，是否影响优化结果（在Gaussian view中） (4/1133) Hansongtao 2010-06-14 2010-06-14 22:22:38 by hlma_ustc
[Gaussian] [关贴]【求助】寻找过渡态的问题 (8/1452) lucky560 2010-06-10 2010-06-14 14:59:25 by piaoxue001
[Gaussian] 【求助】CI coefficient expansion (1/371) xiaogang06 2010-06-13 2010-06-13 22:29:18 by lihb734
[Gaussian] 【求助】IRC计算问题 (1/504) liujodan 2010-06-12 2010-06-12 22:49:24 by erylingjet
[Gaussian] 【求助】mulliken轨道分析和nbo轨道分析有什么区别？ (0/803) domilar 2010-06-12 2010-06-12 17:52:12 by domilar
[Gaussian] 【求助】请问如何用高斯计算原子A上的homo lumo分量大小和电子云密度分量 (2/1383) wdali 2010-06-07 2010-06-12 15:44:14 by domilar
[Gaussian] 【求助】分子A和B的opt+freq结果不同 (2/933) liuxianlv 2010-06-11 2010-06-12 13:17:52 by qzhaosdu
[Gaussian] 【求助】基态和激发态的 MILLIKEN 原子电荷 (0/274) sunhaitao 2010-06-12 2010-06-12 11:20:04 by sunhaitao
[Gaussian] 【求助】HOMO -LUMO 基态-激发态 (4/3721) sunhaitao 2010-06-11 2010-06-12 11:19:07 by sunhaitao
[Gaussian] 【讨论】IRC计算 (2/357) 270948882 2010-06-11 2010-06-12 10:51:26 by 250260882
[Gaussian] 【讨论】IRC (3/702) hedan1215 2010-06-11 2010-06-11 21:20:32 by 20902006
[Gaussian] 【求助】分子中各原子的电负性模拟 (3/680) 我思固我在 2010-06-10 2010-06-11 20:19:18 by coolrainbow
[Gaussian] 【求助】请问MP2方法是不是属于有限场方法的一种呢 (1/824) lmxue 2010-06-11 2010-06-11 19:54:52 by jghe
[Gaussian] 【求助】对称分子如何完美构建    ( 1 2 ) (13/2050) penta8165 2010-06-10 2010-06-11 18:44:56 by penta8165
[Gaussian] 【求助】高斯计算高对称性分子轨道有问号    ( 1 2 ) (11/2142) dreamyeye 2010-06-08 2010-06-11 13:17:01 by ggq0216
[Gaussian] 【求助】优化基本问题 (6/602) hedan1215 2010-06-08 2010-06-11 11:45:57 by xiafuting
[Gaussian] 【求助】频率计算输出文件中何处是零点振动能？ (1/838) Hansongtao 2010-06-11 2010-06-11 11:39:17 by xiafuting
[Gaussian] 【资源】【软件】GaussSumexe-2.1.0 软件--分子轨道DOS (10/1959) Miracle922 2010-06-09 2010-06-11 08:24:35 by qianyang
[Gaussian] 【求助】linux系统下的操作 (4/783) sunlong650 2010-06-10 2010-06-10 23:29:51 by zhangmt
[Gaussian] 【求助】请教：三线态卡宾计算用什么方法比较好？ (2/1051) qzhaosdu 2010-06-09 2010-06-10 21:11:35 by 467266420
[Gaussian] 【经验】QM/MM的一个源码，有兴趣的可以研究一下 (1/395) hakuna 2010-06-10 2010-06-10 19:21:06 by Roseshu
[Gaussian] 【求助】LUMO上有一个成键轨道说明什么？ (0/383) vallen 2010-06-10 2010-06-10 18:59:05 by vallen
[Gaussian] 【求助】关于IRC的能量问题    ( 1 2 ) (13/1856) qufushifan 2010-05-18 2010-06-10 07:14:25 by zhangmt
[Gaussian] 【求助】gaussion怎么写卡宾的能量运算程序？ (8/1240) holysong 2009-12-07 2010-06-09 19:41:23 by qzhaosdu
[Gaussian] 【求助】如何计算还原电势 (0/999) qwerasdf2783 2010-06-09 2010-06-09 16:40:20 by qwerasdf2783
[Gaussian] 【求助】推荐几个用高斯做电池方面的牛人 (0/223) 3867826 2010-06-09 2010-06-09 15:55:33 by 3867826
[Gaussian] 【讨论】【讨论】理论对实际体系的反映？？ (评阅+1) (1/273) coolrainbow 2010-06-09 2010-06-09 14:56:22 by 467266420
[Gaussian] 【求助】生成三线态卡宾的过渡态的自旋多重度的设置 (3/1501) auybv 2010-06-06 2010-06-09 13:36:56 by qzhaosdu
[Gaussian] 【求助】怎样评价相互作用能 (2/270) 焱烈8128 2010-06-08 2010-06-09 12:41:46 by cathy-zhang7777
[Gaussian] 【求助】【求助】高斯问题 (7/1410) jujiao201060 2010-06-04 2010-06-09 11:16:12 by jujiao201060
[Gaussian] 【求助】b3lyp/6-31g*优化时无错误提示中断    ( 1 2 ) (10/1760) 越走越远 2010-06-08 2010-06-09 10:04:39 by 越走越远
[Gaussian] 【求助】结合能的计算问题 (0/1023) eclab-sxx 2010-06-08 2010-06-08 22:34:24 by eclab-sxx
[Gaussian] 【求助】有关TaNb的文献两篇 (0/172) 长乐未央 2010-06-08 2010-06-08 21:31:37 by 长乐未央
[Gaussian] 【绘图】有关TaNb的文献两篇 (0/104) 长乐未央 2010-06-08 2010-06-08 21:29:43 by 长乐未央
[Gaussian] 【求助】关于金属卟啉的结构优化 (7/2126) caozf 2010-06-08 2010-06-08 14:48:50 by yjcmwgk
[Gaussian] 【求助】关于键能查找问题 (1/231) tangbaowei 2010-06-05 2010-06-08 12:19:22 by 250260882
[Gaussian] 【求助】优化激发态多重度的设置 (5/1017) cjhztt 2010-06-07 2010-06-08 10:54:14 by qwerasdf2783
[Gaussian] 【讨论】深问：原子轨道对分子轨道的贡献，函数如何如何归属到原子轨道里？ (+1) (3/2117) Miracle922 2010-06-07 2010-06-08 10:36:08 by Miracle922
[Gaussian] 【求助】frontier molecular orbital (1/737) huixia2010 2010-06-08 2010-06-08 10:07:48 by lihb734
[Gaussian] [关贴]【求助】cygwin中安装了G03 (4/584) lj2425lj 2010-06-07 2010-06-08 07:59:49 by heyo_123
[Gaussian] 【求助】LANL2TZ(f)，def2-QZVP (3/1427) 焱烈8128 2010-06-05 2010-06-08 04:13:04 by recoli
[Gaussian] 【求助】小分子用DFT能算，大分子用AM1也能算，但换DFT就会出错    ( 1 2 ) (12/1768) liuxianlv 2010-06-04 2010-06-08 00:17:16 by liuxianlv
[Gaussian] 【求助】请教一个关于相对论的问题 (5/1086) exabyss916 2010-06-07 2010-06-07 22:58:56 by 043114076
[Gaussian] 【求助】优化频率计算时的频率开始是负的怎么解释 (6/1708) 15200505003 2010-06-04 2010-06-07 20:04:40 by 鱼妃
[Gaussian] 【求助】BSSE请教 (4/918) mengfc 2010-06-07 2010-06-07 17:36:08 by sobereva
[Gaussian] 【求助】怎样读gaussian输出文件 (5/1188) 314202528 2010-06-05 2010-06-07 09:35:04 by zhangmt
[Gaussian] [关贴]【求助完毕】Gaussian在做过渡态优化和频率分析的时候,可以设置温度和压力吗? (3/637) lxmn 2010-06-04 2010-06-07 09:30:13 by zhangmt
[Gaussian] 【讨论】有何不同？ (3/483) abbott 2010-03-20 2010-06-07 09:09:00 by 250260882
[Gaussian] 【求助】UNIX下上交作业的问题    ( 1 2 ) (10/1107) mengxiang9251 2009-12-17 2010-06-07 08:56:16 by 250260882
[Gaussian] 【求助】求助！ (7/729) henuhaog 2010-06-03 2010-06-06 22:11:17 by liuxianlv
[Gaussian] 【求助】请教大家一个对称性的问题 (1/257) qzhaosdu 2010-06-06 2010-06-06 14:59:37 by hairan
[Gaussian] 【讨论】（吉布斯自由能求取）pKa预测 (1/1204) 我思固我在 2010-06-05 2010-06-05 21:49:22 by 我思固我在
[Gaussian] 【求助】高斯计算的分子轨道怎么看啊 (3/648) haibo66878779 2010-06-03 2010-06-05 19:21:16 by sunlong650
[Gaussian] 【求助】这个OUT的出错信息是什么意思？关键的话是Uncompressed Fx but compression i (0/355) ZCY2009 2010-06-05 2010-06-05 17:45:44 by ZCY2009
[Gaussian] 【讨论】HF和DFT (8/1354) forestwolf9291 2010-06-04 2010-06-05 17:06:26 by forestwolf9291
[Gaussian] 【求助】高斯计算出错    ( 1 2 ) (11/3184) liuxianlv 2010-06-03 2010-06-04 18:35:23 by liuxianlv
[Gaussian] 【讨论】电荷变化 (4/387) ustc 2010-06-03 2010-06-04 15:07:38 by ustc
[Gaussian] 【求助】苯酚拉曼计算 (2/317) wst129 2010-06-03 2010-06-04 14:13:46 by 小虫迷
[Gaussian] 【求助】优化计算与激发态 (2/334) shinee 2010-06-04 2010-06-04 11:31:46 by shinee
[Gaussian] 【求助】冰片和异冰片的偶极矩 (0/353) plzhao 2010-06-04 2010-06-04 10:26:26 by plzhao
[Gaussian] 【求助】这个重复不出来，帮帮忙，占用几分钟时间 (3/316) purewater2715 2010-06-02 2010-06-04 09:53:37 by purewater2715
[Gaussian] 【求助】问几个分子对称性和多重度的问题 (0/527) caozf 2010-06-03 2010-06-03 22:45:16 by caozf
[Gaussian] 【求助】求高手帮忙看下Gaussian的输入文件哪里错了 (5/1055) 学员UKbkc5 2010-05-31 2010-06-03 18:12:00 by xijinyang
[Gaussian] 【求助】如何计算扭转角中的三个扭转势垒参数-V1,V2,V3 (1/295) xiaowu787 2010-06-03 2010-06-03 17:02:01 by xiaowu787
[Gaussian] 【求助】请教大家优化一氧化氮分子用UMP2方法应该加哪些IOP呢？ (0/309) qzhaosdu 2010-06-03 2010-06-03 13:07:25 by qzhaosdu
[Gaussian] 【求助】甲硫醇计算 (3/709) ww1987 2010-06-02 2010-06-03 11:16:25 by ww1987
[Gaussian] 【求助】SERS的计算 (0/334) dahuchang 2010-06-03 2010-06-03 11:06:05 by dahuchang
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